5-(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-4-methylpyridine-2-carbonitrile

C13H8ClN5 — CID 122540634

IUPAC5-(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-4-methylpyridine-2-carbonitrile
SMILESCc1cc(C#N)ncc1-c1cc(Cl)cc2ncnn12
InChIInChI=1S/C13H8ClN5/c1-8-2-10(5-15)16-6-11(8)12-3-9(14)4-13-17-7-18-19(12)13/h2-4,6-7H,1H3
InChIKeyQDTFNIGGMGYWTC-UHFFFAOYSA-N
MW269.70 g/mol
LogP2.62
Rot. Bonds1

About 5-(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-4-methylpyridine-2-carbonitrile

5-(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-4-methylpyridine-2-carbonitrile (PubChem CID 122540634) has the molecular formula C13H8ClN5 and a molecular weight of 269.70 g/mol. Its IUPAC name is 5-(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-4-methylpyridine-2-carbonitrile.

Molecular Properties

Compound Name5-(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-4-methylpyridine-2-carbonitrile
PubChem CID122540634
Molecular FormulaC13H8ClN5
Molecular Weight269.70 g/mol
Exact Mass269.05
IUPAC Name5-(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-4-methylpyridine-2-carbonitrile
SMILESCc1cc(C#N)ncc1-c1cc(Cl)cc2ncnn12
InChIInChI=1S/C13H8ClN5/c1-8-2-10(5-15)16-6-11(8)12-3-9(14)4-13-17-7-18-19(12)13/h2-4,6-7H,1H3
InChIKeyQDTFNIGGMGYWTC-UHFFFAOYSA-N
XLogP2.62
TPSA66.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.70
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(7-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-4-methylpyridine-2-carbonitrile
CID 122540688
3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-5-yl)benzonitrile
CID 122540683
4-chloro-5-methylpyridine-2-carbonitrile
CID 75422082
5-fluoro-4-methylpyridine-2-carbonitrile
CID 118235335
4-chloro-5-methylpyrrolo[2,1-f][1,2,4]triazine-7-carbonitrile
CID 167049143
6-cyano-4-methylpyridine-3-carboxylic acid
CID 130894827
tert-butyl N-[5-(6-cyano-2-methyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamate
CID 140850306
2-cyano-5-methylpyridine-4-sulfonyl chloride
CID 58133680
5-(4-chloro-2,6-dimethylphenoxy)pyridine-2-carbonitrile
CID 115487857
(6-cyano-4-methyl-3-pyridinyl) hypofluorite
CID 142338258
6-(5-chloro-2-methylphenyl)pyridine-3-carbonitrile
CID 82391149
6-([1,2,4]triazolo[1,5-a]pyridin-5-yl)pyridine-3-carbonitrile
CID 134328388

Frequently Asked Questions

What is the IUPAC name of 5-(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-4-methylpyridine-2-carbonitrile?
The IUPAC name of 5-(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-4-methylpyridine-2-carbonitrile (CID 122540634) is 5-(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-4-methylpyridine-2-carbonitrile.
What is the SMILES notation for 5-(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-4-methylpyridine-2-carbonitrile?
The canonical SMILES for 5-(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-4-methylpyridine-2-carbonitrile is Cc1cc(C#N)ncc1-c1cc(Cl)cc2ncnn12.
What is the InChIKey of 5-(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-4-methylpyridine-2-carbonitrile?
The InChIKey is QDTFNIGGMGYWTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClN5/c1-8-2-10(5-15)16-6-11(8)12-3-9(14)4-13-17-7-18-19(12)13/h2-4,6-7H,1H3.
What are the key properties of 5-(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-4-methylpyridine-2-carbonitrile?
5-(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-4-methylpyridine-2-carbonitrile has a molecular weight of 269.70 g/mol, XLogP of 2.62, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-4-methylpyridine-2-carbonitrile is sourced from PubChem (CID 122540634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).