(3-chloro-2-pyridinyl)-(3,5-dimethylphenyl)methanone

C14H12ClNO — CID 103443191

IUPAC(3-chloro-2-pyridinyl)-(3,5-dimethylphenyl)methanone
SMILESCc1cc(C)cc(C(=O)c2ncccc2Cl)c1
InChIInChI=1S/C14H12ClNO/c1-9-6-10(2)8-11(7-9)14(17)13-12(15)4-3-5-16-13/h3-8H,1-2H3
InChIKeyXKAZQIVKSGQKLX-UHFFFAOYSA-N
MW245.71 g/mol
LogP3.58
Rot. Bonds2

About (3-chloro-2-pyridinyl)-(3,5-dimethylphenyl)methanone

(3-chloro-2-pyridinyl)-(3,5-dimethylphenyl)methanone (PubChem CID 103443191) has the molecular formula C14H12ClNO and a molecular weight of 245.71 g/mol. Its IUPAC name is (3-chloro-2-pyridinyl)-(3,5-dimethylphenyl)methanone.

Molecular Properties

Compound Name(3-chloro-2-pyridinyl)-(3,5-dimethylphenyl)methanone
PubChem CID103443191
Molecular FormulaC14H12ClNO
Molecular Weight245.71 g/mol
Exact Mass245.06
IUPAC Name(3-chloro-2-pyridinyl)-(3,5-dimethylphenyl)methanone
SMILESCc1cc(C)cc(C(=O)c2ncccc2Cl)c1
InChIInChI=1S/C14H12ClNO/c1-9-6-10(2)8-11(7-9)14(17)13-12(15)4-3-5-16-13/h3-8H,1-2H3
InChIKeyXKAZQIVKSGQKLX-UHFFFAOYSA-N
XLogP3.58
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-chloro-2-pyridinyl)-(5-methyl-3-pyridinyl)methanone
CID 103443112
(2-chlorophenyl)-(3-chloro-2-pyridinyl)methanone
CID 103443193
(3-chloro-2-pyridinyl)-(2-methoxy-5-methylphenyl)methanone
CID 103443137
(3-chloro-2-pyridinyl)-(1,2-thiazol-4-yl)methanone
CID 164647361
3-chloropyridine-2-carbonyl chloride
CID 45081497
(3,4-dichlorophenyl)-(3,5-dimethylphenyl)methanone
CID 2758091
(3-chloro-2-pyridinyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone
CID 107288361
1-(3-chloro-2-pyridinyl)propan-1-one
CID 67986834
(3-chloro-2-pyridinyl)-thiophen-2-ylmethanone
CID 103443291
(3-chloro-2-pyridinyl)-(3-chlorothiophen-2-yl)methanone
CID 107359480
bis(3,5-dimethylphenyl)methanone
CID 15640171
(3-chloro-5-methylphenyl)-(2-chlorophenyl)methanone
CID 114963332

Frequently Asked Questions

What is the IUPAC name of (3-chloro-2-pyridinyl)-(3,5-dimethylphenyl)methanone?
The IUPAC name of (3-chloro-2-pyridinyl)-(3,5-dimethylphenyl)methanone (CID 103443191) is (3-chloro-2-pyridinyl)-(3,5-dimethylphenyl)methanone.
What is the SMILES notation for (3-chloro-2-pyridinyl)-(3,5-dimethylphenyl)methanone?
The canonical SMILES for (3-chloro-2-pyridinyl)-(3,5-dimethylphenyl)methanone is Cc1cc(C)cc(C(=O)c2ncccc2Cl)c1.
What is the InChIKey of (3-chloro-2-pyridinyl)-(3,5-dimethylphenyl)methanone?
The InChIKey is XKAZQIVKSGQKLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO/c1-9-6-10(2)8-11(7-9)14(17)13-12(15)4-3-5-16-13/h3-8H,1-2H3.
What are the key properties of (3-chloro-2-pyridinyl)-(3,5-dimethylphenyl)methanone?
(3-chloro-2-pyridinyl)-(3,5-dimethylphenyl)methanone has a molecular weight of 245.71 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-2-pyridinyl)-(3,5-dimethylphenyl)methanone is sourced from PubChem (CID 103443191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).