3-chloro-2-(4-methyltriazol-1-yl)-5-nitropyridine

C8H6ClN5O2 — CID 134610318

IUPAC3-chloro-2-(4-methyltriazol-1-yl)-5-nitropyridine
SMILESCc1cn(-c2ncc([N+](=O)[O-])cc2Cl)nn1
InChIInChI=1S/C8H6ClN5O2/c1-5-4-13(12-11-5)8-7(9)2-6(3-10-8)14(15)16/h2-4H,1H3
InChIKeyPZOPLJJUCXRWGJ-UHFFFAOYSA-N
MW239.62 g/mol
LogP1.53
Rot. Bonds2

About 3-chloro-2-(4-methyltriazol-1-yl)-5-nitropyridine

3-chloro-2-(4-methyltriazol-1-yl)-5-nitropyridine (PubChem CID 134610318) has the molecular formula C8H6ClN5O2 and a molecular weight of 239.62 g/mol. Its IUPAC name is 3-chloro-2-(4-methyltriazol-1-yl)-5-nitropyridine.

Molecular Properties

Compound Name3-chloro-2-(4-methyltriazol-1-yl)-5-nitropyridine
PubChem CID134610318
Molecular FormulaC8H6ClN5O2
Molecular Weight239.62 g/mol
Exact Mass239.02
IUPAC Name3-chloro-2-(4-methyltriazol-1-yl)-5-nitropyridine
SMILESCc1cn(-c2ncc([N+](=O)[O-])cc2Cl)nn1
InChIInChI=1S/C8H6ClN5O2/c1-5-4-13(12-11-5)8-7(9)2-6(3-10-8)14(15)16/h2-4H,1H3
InChIKeyPZOPLJJUCXRWGJ-UHFFFAOYSA-N
XLogP1.53
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.62
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(5-bromopyrazol-1-yl)-3-chloro-5-nitropyridine
CID 156563778
1-(3-chloro-5-nitro-2-pyridinyl)-3-methylpiperidin-3-ol
CID 103878214
6-(3-chloro-5-nitro-2-pyridinyl)-2-methyl-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one
CID 136555763
4-(3-chloro-5-nitro-2-pyridinyl)-2-methylthiomorpholine
CID 56806367
1-(3-chloro-5-nitro-2-pyridinyl)imidazole-2-carbonitrile
CID 114046960
3-chloro-2-(4-ethenylpiperidin-1-yl)-5-nitropyridine
CID 133309524
4-(1-chloroethyl)-1-(2,6-dichloro-4-nitrophenyl)triazole
CID 81444525
3-chloro-5-nitropyridine-2-carbaldehyde
CID 19010906
4-(chloromethyl)-1-(2,6-dichloro-4-nitrophenyl)triazole
CID 55067144
1-[1-(2,6-dichloro-4-nitrophenyl)triazol-4-yl]ethanol
CID 81444834
3-chloro-2-[2-(methylsulfanylmethyl)pyrrolidin-1-yl]-5-nitropyridine
CID 133377369
3-chloro-2-[4-(ethoxymethyl)piperidin-1-yl]-5-nitropyridine
CID 133310064

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(4-methyltriazol-1-yl)-5-nitropyridine?
The IUPAC name of 3-chloro-2-(4-methyltriazol-1-yl)-5-nitropyridine (CID 134610318) is 3-chloro-2-(4-methyltriazol-1-yl)-5-nitropyridine.
What is the SMILES notation for 3-chloro-2-(4-methyltriazol-1-yl)-5-nitropyridine?
The canonical SMILES for 3-chloro-2-(4-methyltriazol-1-yl)-5-nitropyridine is Cc1cn(-c2ncc([N+](=O)[O-])cc2Cl)nn1.
What is the InChIKey of 3-chloro-2-(4-methyltriazol-1-yl)-5-nitropyridine?
The InChIKey is PZOPLJJUCXRWGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClN5O2/c1-5-4-13(12-11-5)8-7(9)2-6(3-10-8)14(15)16/h2-4H,1H3.
What are the key properties of 3-chloro-2-(4-methyltriazol-1-yl)-5-nitropyridine?
3-chloro-2-(4-methyltriazol-1-yl)-5-nitropyridine has a molecular weight of 239.62 g/mol, XLogP of 1.53, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(4-methyltriazol-1-yl)-5-nitropyridine is sourced from PubChem (CID 134610318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).