(3-chloro-4-pyridinyl)-(3-methylphenyl)methanone

C13H10ClNO — CID 105079332

IUPAC(3-chloro-4-pyridinyl)-(3-methylphenyl)methanone
SMILESCc1cccc(C(=O)c2ccncc2Cl)c1
InChIInChI=1S/C13H10ClNO/c1-9-3-2-4-10(7-9)13(16)11-5-6-15-8-12(11)14/h2-8H,1H3
InChIKeyHGAHKWWDBLPOHO-UHFFFAOYSA-N
MW231.68 g/mol
LogP3.27
Rot. Bonds2

About (3-chloro-4-pyridinyl)-(3-methylphenyl)methanone

(3-chloro-4-pyridinyl)-(3-methylphenyl)methanone (PubChem CID 105079332) has the molecular formula C13H10ClNO and a molecular weight of 231.68 g/mol. Its IUPAC name is (3-chloro-4-pyridinyl)-(3-methylphenyl)methanone.

Molecular Properties

Compound Name(3-chloro-4-pyridinyl)-(3-methylphenyl)methanone
PubChem CID105079332
Molecular FormulaC13H10ClNO
Molecular Weight231.68 g/mol
Exact Mass231.05
IUPAC Name(3-chloro-4-pyridinyl)-(3-methylphenyl)methanone
SMILESCc1cccc(C(=O)c2ccncc2Cl)c1
InChIInChI=1S/C13H10ClNO/c1-9-3-2-4-10(7-9)13(16)11-5-6-15-8-12(11)14/h2-8H,1H3
InChIKeyHGAHKWWDBLPOHO-UHFFFAOYSA-N
XLogP3.27
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.68
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-chloro-4-pyridinyl)-(5-methylthiophen-3-yl)methanone
CID 105106195
(3-chloro-4-pyridinyl)-(2,3-dimethylphenyl)methanone
CID 105093856
(3-chloro-4-pyridinyl)-(6-methyl-3-pyridinyl)methanone
CID 105098887
(3-chloro-4-pyridinyl)-(3,5-difluorophenyl)methanone
CID 105095200
bis(3-methylphenyl)methanone
CID 17848
(2,4-dichloro-3-methylphenyl)-(3-methylphenyl)methanone
CID 175158311
(2-chloro-6-methyl-3-pyridinyl)-(3-methylphenyl)methanone
CID 11053930
(3-amino-4-pyridinyl)-(3-chlorophenyl)methanone
CID 53414372
(4-chloro-3-methylphenyl)-(3-methylphenyl)methanone
CID 112694024
(3-methylphenyl)-pyrimidin-4-ylmethanone
CID 63989761
(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(3-methylphenyl)methanone
CID 43340633
3-chloro-N-methyl-N-[2-(3-methylphenoxy)ethyl]pyridine-4-carboxamide
CID 66483737

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-pyridinyl)-(3-methylphenyl)methanone?
The IUPAC name of (3-chloro-4-pyridinyl)-(3-methylphenyl)methanone (CID 105079332) is (3-chloro-4-pyridinyl)-(3-methylphenyl)methanone.
What is the SMILES notation for (3-chloro-4-pyridinyl)-(3-methylphenyl)methanone?
The canonical SMILES for (3-chloro-4-pyridinyl)-(3-methylphenyl)methanone is Cc1cccc(C(=O)c2ccncc2Cl)c1.
What is the InChIKey of (3-chloro-4-pyridinyl)-(3-methylphenyl)methanone?
The InChIKey is HGAHKWWDBLPOHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO/c1-9-3-2-4-10(7-9)13(16)11-5-6-15-8-12(11)14/h2-8H,1H3.
What are the key properties of (3-chloro-4-pyridinyl)-(3-methylphenyl)methanone?
(3-chloro-4-pyridinyl)-(3-methylphenyl)methanone has a molecular weight of 231.68 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-pyridinyl)-(3-methylphenyl)methanone is sourced from PubChem (CID 105079332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).