5-chloro-2-fluoro-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)benzamide

C13H8ClFN4O — CID 38961107

IUPAC5-chloro-2-fluoro-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)benzamide
SMILESO=C(Nc1nnc2ccccn12)c1cc(Cl)ccc1F
InChIInChI=1S/C13H8ClFN4O/c14-8-4-5-10(15)9(7-8)12(20)16-13-18-17-11-3-1-2-6-19(11)13/h1-7H,(H,16,18,20)
InChIKeyGQCXLVTVZXJWCA-UHFFFAOYSA-N
MW290.69 g/mol
LogP2.77
Rot. Bonds2

About 5-chloro-2-fluoro-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)benzamide

5-chloro-2-fluoro-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)benzamide (PubChem CID 38961107) has the molecular formula C13H8ClFN4O and a molecular weight of 290.69 g/mol. Its IUPAC name is 5-chloro-2-fluoro-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)benzamide.

Molecular Properties

Compound Name5-chloro-2-fluoro-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)benzamide
PubChem CID38961107
Molecular FormulaC13H8ClFN4O
Molecular Weight290.69 g/mol
Exact Mass290.04
IUPAC Name5-chloro-2-fluoro-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)benzamide
SMILESO=C(Nc1nnc2ccccn12)c1cc(Cl)ccc1F
InChIInChI=1S/C13H8ClFN4O/c14-8-4-5-10(15)9(7-8)12(20)16-13-18-17-11-3-1-2-6-19(11)13/h1-7H,(H,16,18,20)
InChIKeyGQCXLVTVZXJWCA-UHFFFAOYSA-N
XLogP2.77
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.69
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)naphthalene-1-carboxamide
CID 47026097
1-(3-fluoro-4-methylphenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea
CID 53204464
2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)benzamide
CID 55672271
5-propan-2-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,2-oxazole-3-carboxamide
CID 155912764
N-(4-chloro-2-fluorophenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 24672239
3-hydroxy-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyridine-2-carboxamide
CID 86817207
N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1H-indole-2-carboxamide
CID 110474039
N-(4-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-amine
CID 56697911
3-[(4-fluorophenyl)methoxy]-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)benzamide
CID 39031047
2-fluoro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 9021173
5-chloro-2-fluoro-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)benzamide
CID 25430229
1-(3-methoxyphenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea
CID 53204450

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)benzamide?
The IUPAC name of 5-chloro-2-fluoro-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)benzamide (CID 38961107) is 5-chloro-2-fluoro-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)benzamide.
What is the SMILES notation for 5-chloro-2-fluoro-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)benzamide?
The canonical SMILES for 5-chloro-2-fluoro-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)benzamide is O=C(Nc1nnc2ccccn12)c1cc(Cl)ccc1F.
What is the InChIKey of 5-chloro-2-fluoro-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)benzamide?
The InChIKey is GQCXLVTVZXJWCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClFN4O/c14-8-4-5-10(15)9(7-8)12(20)16-13-18-17-11-3-1-2-6-19(11)13/h1-7H,(H,16,18,20).
What are the key properties of 5-chloro-2-fluoro-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)benzamide?
5-chloro-2-fluoro-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)benzamide has a molecular weight of 290.69 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-fluoro-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)benzamide is sourced from PubChem (CID 38961107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).