2-tert-butyl-5-chloropyridine;4-tert-butyl-6-chloropyrimidine;2-tert-butyl-4-isocyanopyridine;2-tert-butyl-5-isocyanopyridine;2-tert-butyl-4-methylpyridine;2-tert-butyl-6-methylpyridine;2-tert-butylpyrazine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyridine-3-carbonitrile;2-tert-butylpyrimidine;4-tert-butylpyrimidine;methane

C122H203Cl2N19 — CID 159434893

IUPAC2-tert-butyl-5-chloropyridine;4-tert-butyl-6-chloropyrimidine;2-tert-butyl-4-isocyanopyridine;2-tert-butyl-5-isocyanopyridine;2-tert-butyl-4-methylpyridine;2-tert-butyl-6-methylpyridine;2-tert-butylpyrazine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyridine-3-carbonitrile;2-tert-butylpyrimidine;4-tert-butylpyrimidine;methane
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.CC(C)(C)c1cc(Cl)ncn1.CC(C)(C)c1ccc(Cl)cn1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccncc1.CC(C)(C)c1ccncn1.CC(C)(C)c1cnccn1.CC(C)(C)c1ncccc1C#N.CC(C)(C)c1ncccn1.Cc1cccc(C(C)(C)C)n1.Cc1ccnc(C(C)(C)C)c1.[C-]#[N+]c1ccc(C(C)(C)C)nc1.[C-]#[N+]c1ccnc(C(C)(C)C)c1
InChIInChI=1S/3C10H12N2.2C10H15N.C9H12ClN.2C9H13N.C8H11ClN2.3C8H12N2.13CH4/c1-10(2,3)9-7-8(11-4)5-6-12-9;1-10(2,3)9-6-5-8(11-4)7-12-9;1-10(2,3)9-8(7-11)5-4-6-12-9;1-8-5-6-11-9(7-8)10(2,3)4;1-8-6-5-7-9(11-8)10(2,3)4;1-9(2,3)8-5-4-7(10)6-11-8;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;1-8(2,3)6-4-7(9)11-5-10-6;1-8(2,3)7-6-9-4-5-10-7;1-8(2,3)7-4-5-9-6-10-7;1-8(2,3)7-9-5-4-6-10-7;;;;;;;;;;;;;/h2*5-7H,1-3H3;4-6H,1-3H3;2*5-7H,1-4H3;4-6H,1-3H3;2*4-7H,1-3H3;4-5H,1-3H3;3*4-6H,1-3H3;13*1H4
InChIKeyLRLMEHOKOGQCJT-UHFFFAOYSA-N
MW2007.00 g/mol
LogP37.30
Rot. Bonds

About 2-tert-butyl-5-chloropyridine;4-tert-butyl-6-chloropyrimidine;2-tert-butyl-4-isocyanopyridine;2-tert-butyl-5-isocyanopyridine;2-tert-butyl-4-methylpyridine;2-tert-butyl-6-methylpyridine;2-tert-butylpyrazine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyridine-3-carbonitrile;2-tert-butylpyrimidine;4-tert-butylpyrimidine;methane

2-tert-butyl-5-chloropyridine;4-tert-butyl-6-chloropyrimidine;2-tert-butyl-4-isocyanopyridine;2-tert-butyl-5-isocyanopyridine;2-tert-butyl-4-methylpyridine;2-tert-butyl-6-methylpyridine;2-tert-butylpyrazine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyridine-3-carbonitrile;2-tert-butylpyrimidine;4-tert-butylpyrimidine;methane (PubChem CID 159434893) has the molecular formula C122H203Cl2N19 and a molecular weight of 2007.00 g/mol. Its IUPAC name is 2-tert-butyl-5-chloropyridine;4-tert-butyl-6-chloropyrimidine;2-tert-butyl-4-isocyanopyridine;2-tert-butyl-5-isocyanopyridine;2-tert-butyl-4-methylpyridine;2-tert-butyl-6-methylpyridine;2-tert-butylpyrazine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyridine-3-carbonitrile;2-tert-butylpyrimidine;4-tert-butylpyrimidine;methane.

Molecular Properties

Compound Name2-tert-butyl-5-chloropyridine;4-tert-butyl-6-chloropyrimidine;2-tert-butyl-4-isocyanopyridine;2-tert-butyl-5-isocyanopyridine;2-tert-butyl-4-methylpyridine;2-tert-butyl-6-methylpyridine;2-tert-butylpyrazine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyridine-3-carbonitrile;2-tert-butylpyrimidine;4-tert-butylpyrimidine;methane
PubChem CID159434893
Molecular FormulaC122H203Cl2N19
Molecular Weight2007.00 g/mol
Exact Mass2004.58
IUPAC Name2-tert-butyl-5-chloropyridine;4-tert-butyl-6-chloropyrimidine;2-tert-butyl-4-isocyanopyridine;2-tert-butyl-5-isocyanopyridine;2-tert-butyl-4-methylpyridine;2-tert-butyl-6-methylpyridine;2-tert-butylpyrazine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyridine-3-carbonitrile;2-tert-butylpyrimidine;4-tert-butylpyrimidine;methane
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.CC(C)(C)c1cc(Cl)ncn1.CC(C)(C)c1ccc(Cl)cn1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccncc1.CC(C)(C)c1ccncn1.CC(C)(C)c1cnccn1.CC(C)(C)c1ncccc1C#N.CC(C)(C)c1ncccn1.Cc1cccc(C(C)(C)C)n1.Cc1ccnc(C(C)(C)C)c1.[C-]#[N+]c1ccc(C(C)(C)C)nc1.[C-]#[N+]c1ccnc(C(C)(C)C)c1
InChIInChI=1S/3C10H12N2.2C10H15N.C9H12ClN.2C9H13N.C8H11ClN2.3C8H12N2.13CH4/c1-10(2,3)9-7-8(11-4)5-6-12-9;1-10(2,3)9-6-5-8(11-4)7-12-9;1-10(2,3)9-8(7-11)5-4-6-12-9;1-8-5-6-11-9(7-8)10(2,3)4;1-8-6-5-7-9(11-8)10(2,3)4;1-9(2,3)8-5-4-7(10)6-11-8;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;1-8(2,3)6-4-7(9)11-5-10-6;1-8(2,3)7-6-9-4-5-10-7;1-8(2,3)7-4-5-9-6-10-7;1-8(2,3)7-9-5-4-6-10-7;;;;;;;;;;;;;/h2*5-7H,1-3H3;4-6H,1-3H3;2*5-7H,1-4H3;4-6H,1-3H3;2*4-7H,1-3H3;4-5H,1-3H3;3*4-6H,1-3H3;13*1H4
InChIKeyLRLMEHOKOGQCJT-UHFFFAOYSA-N
XLogP37.30
TPSA238.75 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds
Heavy Atoms143
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002007.00
LogP ≤ 537.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 2-tert-butyl-5-chloropyridine;4-tert-butyl-6-chloropyrimidine;2-tert-butyl-4-isocyanopyridine;2-tert-butyl-5-isocyanopyridine;2-tert-butyl-4-methylpyridine;2-tert-butyl-6-methylpyridine;2-tert-butylpyrazine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyridine-3-carbonitrile;2-tert-butylpyrimidine;4-tert-butylpyrimidine;methane with MolForge

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Launch Full Analysis

Related Compounds

6-[4-[5-Chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 67508875
US11420970, Example 180
CID 156073156
US9944647, Example 103
CID 122584136
US11420970, Example 229
CID 156073199
2-(5-Chloro-2-fluorophenyl)-4-[5-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-3-pyridinyl]-1,8-naphthyridine
CID 68264955
3-(3-Chloro-4-pyridinyl)-2-(4-fluorophenyl)-5-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]pyrazine
CID 71199852
3-(3-Chloro-4-pyridinyl)-2-(2,4-difluorophenyl)-5-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]pyrazine
CID 71199853
4-(5-chloropyridin-3-yl)-2-[(1RS)-1-fluoro-1-(3-fluoropyridin-2-yl)ethyl]-3-[(trans-4-methylcyclohexyl)methyl]-3H-imidazo[4,5-c]pyridine-6-carbonitrile
CID 86724576
4-(5-chloropyridin-3-yl)-2-[1-(3-fluoropyridin-2-yl)ethyl]-3-[(trans-4-methylcyclohexyl)methyl]-3H-imidazo[4,5-c]pyridine-6-carbonitrile
CID 86724581
4-(5-chloro-3-pyridinyl)-2-[(1S)-1-fluoro-1-(3-fluoro-2-pyridinyl)ethyl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridine-6-carbonitrile
CID 90236449
3-[2-[3-[5-[3-[5-[3-[2-Amino-5-[2,3-bis(dimethylamino)-5-methyl-6-pyridin-2-yl-4-pyridinyl]-3-[(5-methyl-2-pyridinyl)amino]-4-pyridinyl]-2-fluoro-5-methyl-4-pyridinyl]-2-fluoro-3-methyl-4-pyridinyl]-2-chloro-5-methyl-4-pyridinyl]-2-chloro-3-methyl-4-pyridinyl]-2-chloro-6-methyl-4-pyridinyl]-3,5-dichloro-4-pyridinyl]-4-[3-chloro-4-[2-chloro-4-[4-[4-[4-[3-(2,5-dimethyl-4-pyridinyl)-6-(2-methyl-4-pyridinyl)-5-(3-methyl-4-pyridinyl)-2-pyridinyl]-5,6-dimethyl-3-pyridinyl]-2,5-dimethyl-3-pyridinyl]-2-fluoro-3-pyridinyl]-3-pyridinyl]-2-pyridinyl]pyridine-2-carbonitrile
CID 91807036
5-chloro-N-[4-[5-cyclopropyl-4-[[(3,3-dimethylpiperidin-4-yl)amino]methyl]pyrido[3,4-d]pyrimidin-2-yl]-2-pyridinyl]-3-fluoropyridin-2-amine
CID 118224959

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-chloropyridine;4-tert-butyl-6-chloropyrimidine;2-tert-butyl-4-isocyanopyridine;2-tert-butyl-5-isocyanopyridine;2-tert-butyl-4-methylpyridine;2-tert-butyl-6-methylpyridine;2-tert-butylpyrazine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyridine-3-carbonitrile;2-tert-butylpyrimidine;4-tert-butylpyrimidine;methane?
The IUPAC name of 2-tert-butyl-5-chloropyridine;4-tert-butyl-6-chloropyrimidine;2-tert-butyl-4-isocyanopyridine;2-tert-butyl-5-isocyanopyridine;2-tert-butyl-4-methylpyridine;2-tert-butyl-6-methylpyridine;2-tert-butylpyrazine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyridine-3-carbonitrile;2-tert-butylpyrimidine;4-tert-butylpyrimidine;methane (CID 159434893) is 2-tert-butyl-5-chloropyridine;4-tert-butyl-6-chloropyrimidine;2-tert-butyl-4-isocyanopyridine;2-tert-butyl-5-isocyanopyridine;2-tert-butyl-4-methylpyridine;2-tert-butyl-6-methylpyridine;2-tert-butylpyrazine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyridine-3-carbonitrile;2-tert-butylpyrimidine;4-tert-butylpyrimidine;methane.
What is the SMILES notation for 2-tert-butyl-5-chloropyridine;4-tert-butyl-6-chloropyrimidine;2-tert-butyl-4-isocyanopyridine;2-tert-butyl-5-isocyanopyridine;2-tert-butyl-4-methylpyridine;2-tert-butyl-6-methylpyridine;2-tert-butylpyrazine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyridine-3-carbonitrile;2-tert-butylpyrimidine;4-tert-butylpyrimidine;methane?
The canonical SMILES for 2-tert-butyl-5-chloropyridine;4-tert-butyl-6-chloropyrimidine;2-tert-butyl-4-isocyanopyridine;2-tert-butyl-5-isocyanopyridine;2-tert-butyl-4-methylpyridine;2-tert-butyl-6-methylpyridine;2-tert-butylpyrazine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyridine-3-carbonitrile;2-tert-butylpyrimidine;4-tert-butylpyrimidine;methane is C.C.C.C.C.C.C.C.C.C.C.C.C.CC(C)(C)c1cc(Cl)ncn1.CC(C)(C)c1ccc(Cl)cn1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccncc1.CC(C)(C)c1ccncn1.CC(C)(C)c1cnccn1.CC(C)(C)c1ncccc1C#N.CC(C)(C)c1ncccn1.Cc1cccc(C(C)(C)C)n1.Cc1ccnc(C(C)(C)C)c1.[C-]#[N+]c1ccc(C(C)(C)C)nc1.[C-]#[N+]c1ccnc(C(C)(C)C)c1.
What is the InChIKey of 2-tert-butyl-5-chloropyridine;4-tert-butyl-6-chloropyrimidine;2-tert-butyl-4-isocyanopyridine;2-tert-butyl-5-isocyanopyridine;2-tert-butyl-4-methylpyridine;2-tert-butyl-6-methylpyridine;2-tert-butylpyrazine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyridine-3-carbonitrile;2-tert-butylpyrimidine;4-tert-butylpyrimidine;methane?
The InChIKey is LRLMEHOKOGQCJT-UHFFFAOYSA-N. The full InChI is InChI=1S/3C10H12N2.2C10H15N.C9H12ClN.2C9H13N.C8H11ClN2.3C8H12N2.13CH4/c1-10(2,3)9-7-8(11-4)5-6-12-9;1-10(2,3)9-6-5-8(11-4)7-12-9;1-10(2,3)9-8(7-11)5-4-6-12-9;1-8-5-6-11-9(7-8)10(2,3)4;1-8-6-5-7-9(11-8)10(2,3)4;1-9(2,3)8-5-4-7(10)6-11-8;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;1-8(2,3)6-4-7(9)11-5-10-6;1-8(2,3)7-6-9-4-5-10-7;1-8(2,3)7-4-5-9-6-10-7;1-8(2,3)7-9-5-4-6-10-7;;;;;;;;;;;;;/h2*5-7H,1-3H3;4-6H,1-3H3;2*5-7H,1-4H3;4-6H,1-3H3;2*4-7H,1-3H3;4-5H,1-3H3;3*4-6H,1-3H3;13*1H4.
What are the key properties of 2-tert-butyl-5-chloropyridine;4-tert-butyl-6-chloropyrimidine;2-tert-butyl-4-isocyanopyridine;2-tert-butyl-5-isocyanopyridine;2-tert-butyl-4-methylpyridine;2-tert-butyl-6-methylpyridine;2-tert-butylpyrazine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyridine-3-carbonitrile;2-tert-butylpyrimidine;4-tert-butylpyrimidine;methane?
2-tert-butyl-5-chloropyridine;4-tert-butyl-6-chloropyrimidine;2-tert-butyl-4-isocyanopyridine;2-tert-butyl-5-isocyanopyridine;2-tert-butyl-4-methylpyridine;2-tert-butyl-6-methylpyridine;2-tert-butylpyrazine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyridine-3-carbonitrile;2-tert-butylpyrimidine;4-tert-butylpyrimidine;methane has a molecular weight of 2007.00 g/mol, XLogP of 37.30, 0 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-chloropyridine;4-tert-butyl-6-chloropyrimidine;2-tert-butyl-4-isocyanopyridine;2-tert-butyl-5-isocyanopyridine;2-tert-butyl-4-methylpyridine;2-tert-butyl-6-methylpyridine;2-tert-butylpyrazine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyridine-3-carbonitrile;2-tert-butylpyrimidine;4-tert-butylpyrimidine;methane is sourced from PubChem (CID 159434893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).