(3-chloro-2-pyridinyl)-(5-methyl-3-pyridinyl)methanone

C12H9ClN2O — CID 103443112

IUPAC(3-chloro-2-pyridinyl)-(5-methyl-3-pyridinyl)methanone
SMILESCc1cncc(C(=O)c2ncccc2Cl)c1
InChIInChI=1S/C12H9ClN2O/c1-8-5-9(7-14-6-8)12(16)11-10(13)3-2-4-15-11/h2-7H,1H3
InChIKeyRQDCHJPFUVSKOJ-UHFFFAOYSA-N
MW232.67 g/mol
LogP2.67
Rot. Bonds2

About (3-chloro-2-pyridinyl)-(5-methyl-3-pyridinyl)methanone

(3-chloro-2-pyridinyl)-(5-methyl-3-pyridinyl)methanone (PubChem CID 103443112) has the molecular formula C12H9ClN2O and a molecular weight of 232.67 g/mol. Its IUPAC name is (3-chloro-2-pyridinyl)-(5-methyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name(3-chloro-2-pyridinyl)-(5-methyl-3-pyridinyl)methanone
PubChem CID103443112
Molecular FormulaC12H9ClN2O
Molecular Weight232.67 g/mol
Exact Mass232.04
IUPAC Name(3-chloro-2-pyridinyl)-(5-methyl-3-pyridinyl)methanone
SMILESCc1cncc(C(=O)c2ncccc2Cl)c1
InChIInChI=1S/C12H9ClN2O/c1-8-5-9(7-14-6-8)12(16)11-10(13)3-2-4-15-11/h2-7H,1H3
InChIKeyRQDCHJPFUVSKOJ-UHFFFAOYSA-N
XLogP2.67
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.67
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-chloro-2-pyridinyl)-(3,5-dimethylphenyl)methanone
CID 103443191
(5-methyl-3-pyridinyl)-pyrimidin-2-ylmethanone
CID 115373915
(3-chloro-2-pyridinyl)-(1,2-thiazol-4-yl)methanone
CID 164647361
(2-chlorophenyl)-(3-chloro-2-pyridinyl)methanone
CID 103443193
(3-chloro-2-pyridinyl)-(2-methoxy-5-methylphenyl)methanone
CID 103443137
3-chloropyridine-2-carbonyl chloride
CID 45081497
(5-methyl-3-pyridinyl)-(4-propan-2-ylphenyl)methanone
CID 113297046
(5-methyl-3-pyridinyl)-(4-phenylphenyl)methanone
CID 105103449
(3-chloro-2-pyridinyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone
CID 107288361
(2-fluorophenyl)-(5-methyl-3-pyridinyl)methanone
CID 115373956
(3-chloro-2-pyridinyl)-(5-methyl-3-pyridinyl)methanol
CID 103443421
1-(3-chloro-2-pyridinyl)propan-1-one
CID 67986834

Frequently Asked Questions

What is the IUPAC name of (3-chloro-2-pyridinyl)-(5-methyl-3-pyridinyl)methanone?
The IUPAC name of (3-chloro-2-pyridinyl)-(5-methyl-3-pyridinyl)methanone (CID 103443112) is (3-chloro-2-pyridinyl)-(5-methyl-3-pyridinyl)methanone.
What is the SMILES notation for (3-chloro-2-pyridinyl)-(5-methyl-3-pyridinyl)methanone?
The canonical SMILES for (3-chloro-2-pyridinyl)-(5-methyl-3-pyridinyl)methanone is Cc1cncc(C(=O)c2ncccc2Cl)c1.
What is the InChIKey of (3-chloro-2-pyridinyl)-(5-methyl-3-pyridinyl)methanone?
The InChIKey is RQDCHJPFUVSKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2O/c1-8-5-9(7-14-6-8)12(16)11-10(13)3-2-4-15-11/h2-7H,1H3.
What are the key properties of (3-chloro-2-pyridinyl)-(5-methyl-3-pyridinyl)methanone?
(3-chloro-2-pyridinyl)-(5-methyl-3-pyridinyl)methanone has a molecular weight of 232.67 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-2-pyridinyl)-(5-methyl-3-pyridinyl)methanone is sourced from PubChem (CID 103443112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).