5-chloro-2-methylpyridine;2,3-dichloro-6-methylpyridine;bis(2,5-dimethylpyridine);5-ethynyl-2-methylpyridine;2-isocyano-5-methylpyridine;5-isocyano-2-methylpyridine;2-methyl-5-nitropyridine;2-methylpyridine;3-methylpyridine;4-methylpyridine

C72H75Cl3N14O2 — CID 158764298

IUPAC5-chloro-2-methylpyridine;2,3-dichloro-6-methylpyridine;bis(2,5-dimethylpyridine);5-ethynyl-2-methylpyridine;2-isocyano-5-methylpyridine;5-isocyano-2-methylpyridine;2-methyl-5-nitropyridine;2-methylpyridine;3-methylpyridine;4-methylpyridine
SMILESC#Cc1ccc(C)nc1.Cc1ccc(C)nc1.Cc1ccc(C)nc1.Cc1ccc(Cl)c(Cl)n1.Cc1ccc(Cl)cn1.Cc1ccc([N+](=O)[O-])cn1.Cc1ccccn1.Cc1cccnc1.Cc1ccncc1.[C-]#[N+]c1ccc(C)cn1.[C-]#[N+]c1ccc(C)nc1
InChIInChI=1S/C8H7N.2C7H6N2.2C7H9N.C6H5Cl2N.C6H6ClN.C6H6N2O2.3C6H7N/c1-3-8-5-4-7(2)9-6-8;1-6-3-4-7(8-2)5-9-6;1-6-3-4-7(8-2)9-5-6;2*1-6-3-4-7(2)8-5-6;1-4-2-3-5(7)6(8)9-4;1-5-2-3-6(7)4-8-5;1-5-2-3-6(4-7-5)8(9)10;1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6/h1,4-6H,2H3;2*3-5H,1H3;2*3-5H,1-2H3;2-3H,1H3;2-4H,1H3;2-4H,1H3;3*2-5H,1H3
InChIKeyIPBGRFRJMAWITE-UHFFFAOYSA-N
MW1274.85 g/mol
LogP18.86
Rot. Bonds1

About 5-chloro-2-methylpyridine;2,3-dichloro-6-methylpyridine;bis(2,5-dimethylpyridine);5-ethynyl-2-methylpyridine;2-isocyano-5-methylpyridine;5-isocyano-2-methylpyridine;2-methyl-5-nitropyridine;2-methylpyridine;3-methylpyridine;4-methylpyridine

5-chloro-2-methylpyridine;2,3-dichloro-6-methylpyridine;bis(2,5-dimethylpyridine);5-ethynyl-2-methylpyridine;2-isocyano-5-methylpyridine;5-isocyano-2-methylpyridine;2-methyl-5-nitropyridine;2-methylpyridine;3-methylpyridine;4-methylpyridine (PubChem CID 158764298) has the molecular formula C72H75Cl3N14O2 and a molecular weight of 1274.85 g/mol. Its IUPAC name is 5-chloro-2-methylpyridine;2,3-dichloro-6-methylpyridine;bis(2,5-dimethylpyridine);5-ethynyl-2-methylpyridine;2-isocyano-5-methylpyridine;5-isocyano-2-methylpyridine;2-methyl-5-nitropyridine;2-methylpyridine;3-methylpyridine;4-methylpyridine.

Molecular Properties

Compound Name5-chloro-2-methylpyridine;2,3-dichloro-6-methylpyridine;bis(2,5-dimethylpyridine);5-ethynyl-2-methylpyridine;2-isocyano-5-methylpyridine;5-isocyano-2-methylpyridine;2-methyl-5-nitropyridine;2-methylpyridine;3-methylpyridine;4-methylpyridine
PubChem CID158764298
Molecular FormulaC72H75Cl3N14O2
Molecular Weight1274.85 g/mol
Exact Mass1272.53
IUPAC Name5-chloro-2-methylpyridine;2,3-dichloro-6-methylpyridine;bis(2,5-dimethylpyridine);5-ethynyl-2-methylpyridine;2-isocyano-5-methylpyridine;5-isocyano-2-methylpyridine;2-methyl-5-nitropyridine;2-methylpyridine;3-methylpyridine;4-methylpyridine
SMILESC#Cc1ccc(C)nc1.Cc1ccc(C)nc1.Cc1ccc(C)nc1.Cc1ccc(Cl)c(Cl)n1.Cc1ccc(Cl)cn1.Cc1ccc([N+](=O)[O-])cn1.Cc1ccccn1.Cc1cccnc1.Cc1ccncc1.[C-]#[N+]c1ccc(C)cn1.[C-]#[N+]c1ccc(C)nc1
InChIInChI=1S/C8H7N.2C7H6N2.2C7H9N.C6H5Cl2N.C6H6ClN.C6H6N2O2.3C6H7N/c1-3-8-5-4-7(2)9-6-8;1-6-3-4-7(8-2)5-9-6;1-6-3-4-7(8-2)9-5-6;2*1-6-3-4-7(2)8-5-6;1-4-2-3-5(7)6(8)9-4;1-5-2-3-6(7)4-8-5;1-5-2-3-6(4-7-5)8(9)10;1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6/h1,4-6H,2H3;2*3-5H,1H3;2*3-5H,1-2H3;2-3H,1H3;2-4H,1H3;2-4H,1H3;3*2-5H,1H3
InChIKeyIPBGRFRJMAWITE-UHFFFAOYSA-N
XLogP18.86
TPSA193.65 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds1
Heavy Atoms91
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001274.85
LogP ≤ 518.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 5-chloro-2-methylpyridine;2,3-dichloro-6-methylpyridine;bis(2,5-dimethylpyridine);5-ethynyl-2-methylpyridine;2-isocyano-5-methylpyridine;5-isocyano-2-methylpyridine;2-methyl-5-nitropyridine;2-methylpyridine;3-methylpyridine;4-methylpyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methylpyridine;2,3-dichloro-6-methylpyridine;bis(2,5-dimethylpyridine);5-ethynyl-2-methylpyridine;2-isocyano-5-methylpyridine;5-isocyano-2-methylpyridine;2-methyl-5-nitropyridine;2-methylpyridine;3-methylpyridine;4-methylpyridine?
The IUPAC name of 5-chloro-2-methylpyridine;2,3-dichloro-6-methylpyridine;bis(2,5-dimethylpyridine);5-ethynyl-2-methylpyridine;2-isocyano-5-methylpyridine;5-isocyano-2-methylpyridine;2-methyl-5-nitropyridine;2-methylpyridine;3-methylpyridine;4-methylpyridine (CID 158764298) is 5-chloro-2-methylpyridine;2,3-dichloro-6-methylpyridine;bis(2,5-dimethylpyridine);5-ethynyl-2-methylpyridine;2-isocyano-5-methylpyridine;5-isocyano-2-methylpyridine;2-methyl-5-nitropyridine;2-methylpyridine;3-methylpyridine;4-methylpyridine.
What is the SMILES notation for 5-chloro-2-methylpyridine;2,3-dichloro-6-methylpyridine;bis(2,5-dimethylpyridine);5-ethynyl-2-methylpyridine;2-isocyano-5-methylpyridine;5-isocyano-2-methylpyridine;2-methyl-5-nitropyridine;2-methylpyridine;3-methylpyridine;4-methylpyridine?
The canonical SMILES for 5-chloro-2-methylpyridine;2,3-dichloro-6-methylpyridine;bis(2,5-dimethylpyridine);5-ethynyl-2-methylpyridine;2-isocyano-5-methylpyridine;5-isocyano-2-methylpyridine;2-methyl-5-nitropyridine;2-methylpyridine;3-methylpyridine;4-methylpyridine is C#Cc1ccc(C)nc1.Cc1ccc(C)nc1.Cc1ccc(C)nc1.Cc1ccc(Cl)c(Cl)n1.Cc1ccc(Cl)cn1.Cc1ccc([N+](=O)[O-])cn1.Cc1ccccn1.Cc1cccnc1.Cc1ccncc1.[C-]#[N+]c1ccc(C)cn1.[C-]#[N+]c1ccc(C)nc1.
What is the InChIKey of 5-chloro-2-methylpyridine;2,3-dichloro-6-methylpyridine;bis(2,5-dimethylpyridine);5-ethynyl-2-methylpyridine;2-isocyano-5-methylpyridine;5-isocyano-2-methylpyridine;2-methyl-5-nitropyridine;2-methylpyridine;3-methylpyridine;4-methylpyridine?
The InChIKey is IPBGRFRJMAWITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N.2C7H6N2.2C7H9N.C6H5Cl2N.C6H6ClN.C6H6N2O2.3C6H7N/c1-3-8-5-4-7(2)9-6-8;1-6-3-4-7(8-2)5-9-6;1-6-3-4-7(8-2)9-5-6;2*1-6-3-4-7(2)8-5-6;1-4-2-3-5(7)6(8)9-4;1-5-2-3-6(7)4-8-5;1-5-2-3-6(4-7-5)8(9)10;1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6/h1,4-6H,2H3;2*3-5H,1H3;2*3-5H,1-2H3;2-3H,1H3;2-4H,1H3;2-4H,1H3;3*2-5H,1H3.
What are the key properties of 5-chloro-2-methylpyridine;2,3-dichloro-6-methylpyridine;bis(2,5-dimethylpyridine);5-ethynyl-2-methylpyridine;2-isocyano-5-methylpyridine;5-isocyano-2-methylpyridine;2-methyl-5-nitropyridine;2-methylpyridine;3-methylpyridine;4-methylpyridine?
5-chloro-2-methylpyridine;2,3-dichloro-6-methylpyridine;bis(2,5-dimethylpyridine);5-ethynyl-2-methylpyridine;2-isocyano-5-methylpyridine;5-isocyano-2-methylpyridine;2-methyl-5-nitropyridine;2-methylpyridine;3-methylpyridine;4-methylpyridine has a molecular weight of 1274.85 g/mol, XLogP of 18.86, 1 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methylpyridine;2,3-dichloro-6-methylpyridine;bis(2,5-dimethylpyridine);5-ethynyl-2-methylpyridine;2-isocyano-5-methylpyridine;5-isocyano-2-methylpyridine;2-methyl-5-nitropyridine;2-methylpyridine;3-methylpyridine;4-methylpyridine is sourced from PubChem (CID 158764298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).