3-(5-chloro-2-pyridinyl)benzamide

C12H9ClN2O — CID 91358917

IUPAC3-(5-chloro-2-pyridinyl)benzamide
SMILESNC(=O)c1cccc(-c2ccc(Cl)cn2)c1
InChIInChI=1S/C12H9ClN2O/c13-10-4-5-11(15-7-10)8-2-1-3-9(6-8)12(14)16/h1-7H,(H2,14,16)
InChIKeyBKHHTWHOZNAUKN-UHFFFAOYSA-N
MW232.67 g/mol
LogP2.50
Rot. Bonds2

About 3-(5-chloro-2-pyridinyl)benzamide

3-(5-chloro-2-pyridinyl)benzamide (PubChem CID 91358917) has the molecular formula C12H9ClN2O and a molecular weight of 232.67 g/mol. Its IUPAC name is 3-(5-chloro-2-pyridinyl)benzamide.

Molecular Properties

Compound Name3-(5-chloro-2-pyridinyl)benzamide
PubChem CID91358917
Molecular FormulaC12H9ClN2O
Molecular Weight232.67 g/mol
Exact Mass232.04
IUPAC Name3-(5-chloro-2-pyridinyl)benzamide
SMILESNC(=O)c1cccc(-c2ccc(Cl)cn2)c1
InChIInChI=1S/C12H9ClN2O/c13-10-4-5-11(15-7-10)8-2-1-3-9(6-8)12(14)16/h1-7H,(H2,14,16)
InChIKeyBKHHTWHOZNAUKN-UHFFFAOYSA-N
XLogP2.50
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.67
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(3-aminophenyl)pyridine-3-carboxamide
CID 174708231
3-pyrimidin-4-ylbenzamide
CID 67036490
3-amino-5-(5-chloro-2-pyridinyl)benzoic acid
CID 143600435
6-(3-chlorophenyl)pyridine-3-carboxylic acid
CID 24729969
6-(3-anilinophenyl)pyridine-3-carboxamide
CID 174715088
3-[5-(4-chloroanilino)-3-pyridinyl]benzamide
CID 68952480
3-(1,2,5-oxadiazol-3-yl)benzamide
CID 142794316
5-chloro-2-(3,4-dichlorophenyl)pyridine
CID 133088015
3-pyridin-3-ylbenzamide;hydrochloride
CID 175813431
3-[6-[2-(4-chlorophenyl)propylamino]pyridazin-3-yl]benzamide
CID 139323754
3-(5-chloro-2-pyridinyl)-N-[1-(4-propyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 118767326
3-(5-chloro-2-pyridinyl)-N-(3-cyclopentyloxypropyl)benzamide
CID 118770666

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-pyridinyl)benzamide?
The IUPAC name of 3-(5-chloro-2-pyridinyl)benzamide (CID 91358917) is 3-(5-chloro-2-pyridinyl)benzamide.
What is the SMILES notation for 3-(5-chloro-2-pyridinyl)benzamide?
The canonical SMILES for 3-(5-chloro-2-pyridinyl)benzamide is NC(=O)c1cccc(-c2ccc(Cl)cn2)c1.
What is the InChIKey of 3-(5-chloro-2-pyridinyl)benzamide?
The InChIKey is BKHHTWHOZNAUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2O/c13-10-4-5-11(15-7-10)8-2-1-3-9(6-8)12(14)16/h1-7H,(H2,14,16).
What are the key properties of 3-(5-chloro-2-pyridinyl)benzamide?
3-(5-chloro-2-pyridinyl)benzamide has a molecular weight of 232.67 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-pyridinyl)benzamide is sourced from PubChem (CID 91358917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).