4-chloro-2-(pyridine-3-carbonyl)benzamide

C13H9ClN2O2 — CID 68547822

IUPAC4-chloro-2-(pyridine-3-carbonyl)benzamide
SMILESNC(=O)c1ccc(Cl)cc1C(=O)c1cccnc1
InChIInChI=1S/C13H9ClN2O2/c14-9-3-4-10(13(15)18)11(6-9)12(17)8-2-1-5-16-7-8/h1-7H,(H2,15,18)
InChIKeyAYXWQQWKMDUDMP-UHFFFAOYSA-N
MW260.68 g/mol
LogP2.06
Rot. Bonds3

About 4-chloro-2-(pyridine-3-carbonyl)benzamide

4-chloro-2-(pyridine-3-carbonyl)benzamide (PubChem CID 68547822) has the molecular formula C13H9ClN2O2 and a molecular weight of 260.68 g/mol. Its IUPAC name is 4-chloro-2-(pyridine-3-carbonyl)benzamide.

Molecular Properties

Compound Name4-chloro-2-(pyridine-3-carbonyl)benzamide
PubChem CID68547822
Molecular FormulaC13H9ClN2O2
Molecular Weight260.68 g/mol
Exact Mass260.04
IUPAC Name4-chloro-2-(pyridine-3-carbonyl)benzamide
SMILESNC(=O)c1ccc(Cl)cc1C(=O)c1cccnc1
InChIInChI=1S/C13H9ClN2O2/c14-9-3-4-10(13(15)18)11(6-9)12(17)8-2-1-5-16-7-8/h1-7H,(H2,15,18)
InChIKeyAYXWQQWKMDUDMP-UHFFFAOYSA-N
XLogP2.06
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.68
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-chloro-2-(difluoromethyl)phenyl]-pyridin-3-ylmethanone
CID 134622134
4-chloro-N-[4-chloro-2-(pyridine-3-carbonyl)phenyl]benzenesulfonamide
CID 10386667
(2-chloro-5-fluorophenyl)-pyridin-3-ylmethanone
CID 112694365
CID 175154223
CID 175154223
methane;pyridine-3-carboxamide
CID 19390506
benzene;pyridine-3-carboxamide
CID 66766032
(3-amino-4-pyridinyl)-pyridin-3-ylmethanone
CID 53414422
azane;platinum(4+);pyridine-3-carboxamide;dichloride
CID 71548674
2-carbamoyl-5-chlorobenzoic acid
CID 57087443
(2-chloro-4-phenoxyphenyl)-pyridin-3-ylmethanone
CID 175689937
4-chloro-2-(pyridine-3-carbonylamino)benzoic acid
CID 16772480
N'-(4-chloro-2-iodobenzoyl)pyridine-3-carbohydrazide
CID 39716932

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(pyridine-3-carbonyl)benzamide?
The IUPAC name of 4-chloro-2-(pyridine-3-carbonyl)benzamide (CID 68547822) is 4-chloro-2-(pyridine-3-carbonyl)benzamide.
What is the SMILES notation for 4-chloro-2-(pyridine-3-carbonyl)benzamide?
The canonical SMILES for 4-chloro-2-(pyridine-3-carbonyl)benzamide is NC(=O)c1ccc(Cl)cc1C(=O)c1cccnc1.
What is the InChIKey of 4-chloro-2-(pyridine-3-carbonyl)benzamide?
The InChIKey is AYXWQQWKMDUDMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2O2/c14-9-3-4-10(13(15)18)11(6-9)12(17)8-2-1-5-16-7-8/h1-7H,(H2,15,18).
What are the key properties of 4-chloro-2-(pyridine-3-carbonyl)benzamide?
4-chloro-2-(pyridine-3-carbonyl)benzamide has a molecular weight of 260.68 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(pyridine-3-carbonyl)benzamide is sourced from PubChem (CID 68547822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).