(3-chloro-2-pyridinyl)-(2-methoxy-5-methylphenyl)methanone

C14H12ClNO2 — CID 103443137

IUPAC(3-chloro-2-pyridinyl)-(2-methoxy-5-methylphenyl)methanone
SMILESCOc1ccc(C)cc1C(=O)c1ncccc1Cl
InChIInChI=1S/C14H12ClNO2/c1-9-5-6-12(18-2)10(8-9)14(17)13-11(15)4-3-7-16-13/h3-8H,1-2H3
InChIKeyBTTYJAQQPONMAK-UHFFFAOYSA-N
MW261.71 g/mol
LogP3.28
Rot. Bonds3

About (3-chloro-2-pyridinyl)-(2-methoxy-5-methylphenyl)methanone

(3-chloro-2-pyridinyl)-(2-methoxy-5-methylphenyl)methanone (PubChem CID 103443137) has the molecular formula C14H12ClNO2 and a molecular weight of 261.71 g/mol. Its IUPAC name is (3-chloro-2-pyridinyl)-(2-methoxy-5-methylphenyl)methanone.

Molecular Properties

Compound Name(3-chloro-2-pyridinyl)-(2-methoxy-5-methylphenyl)methanone
PubChem CID103443137
Molecular FormulaC14H12ClNO2
Molecular Weight261.71 g/mol
Exact Mass261.06
IUPAC Name(3-chloro-2-pyridinyl)-(2-methoxy-5-methylphenyl)methanone
SMILESCOc1ccc(C)cc1C(=O)c1ncccc1Cl
InChIInChI=1S/C14H12ClNO2/c1-9-5-6-12(18-2)10(8-9)14(17)13-11(15)4-3-7-16-13/h3-8H,1-2H3
InChIKeyBTTYJAQQPONMAK-UHFFFAOYSA-N
XLogP3.28
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.71
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-2-pyridinyl)-2-methoxy-5-methylbenzamide
CID 113356136
(3,4-dichlorophenyl)-(2-methoxy-5-methylphenyl)methanone
CID 43625949
(4-chloro-3-methoxyphenyl)-(2-methoxy-5-methylphenyl)methanone
CID 115781862
(2-chlorophenyl)-(3-chloro-2-pyridinyl)methanone
CID 103443193
(5-bromo-2-chlorophenyl)-(3-methoxy-2-pyridinyl)methanone
CID 114054374
(3-chloro-2-pyridinyl)-[2-(2-methoxyethoxy)phenyl]methanone
CID 103443277
(4-chloro-1-benzofuran-2-yl)-(2-methoxy-5-methylphenyl)methanone
CID 114321301
(2-chlorophenyl)-(2,5-dimethoxyphenyl)methanone
CID 623894
(3-chloro-2-pyridinyl)-(5-methyl-3-pyridinyl)methanone
CID 103443112
[3-(1,3-dioxolan-2-yl)-2-pyridinyl]-[2-(methoxymethoxy)-5-methylphenyl]methanone
CID 19701573
(3-amino-2-chlorophenyl)-(2-methoxy-5-methylphenyl)methanone
CID 112580781
(5-amino-2,3-dichlorophenyl)-(2-methoxy-5-methylphenyl)methanone
CID 107201476

Frequently Asked Questions

What is the IUPAC name of (3-chloro-2-pyridinyl)-(2-methoxy-5-methylphenyl)methanone?
The IUPAC name of (3-chloro-2-pyridinyl)-(2-methoxy-5-methylphenyl)methanone (CID 103443137) is (3-chloro-2-pyridinyl)-(2-methoxy-5-methylphenyl)methanone.
What is the SMILES notation for (3-chloro-2-pyridinyl)-(2-methoxy-5-methylphenyl)methanone?
The canonical SMILES for (3-chloro-2-pyridinyl)-(2-methoxy-5-methylphenyl)methanone is COc1ccc(C)cc1C(=O)c1ncccc1Cl.
What is the InChIKey of (3-chloro-2-pyridinyl)-(2-methoxy-5-methylphenyl)methanone?
The InChIKey is BTTYJAQQPONMAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO2/c1-9-5-6-12(18-2)10(8-9)14(17)13-11(15)4-3-7-16-13/h3-8H,1-2H3.
What are the key properties of (3-chloro-2-pyridinyl)-(2-methoxy-5-methylphenyl)methanone?
(3-chloro-2-pyridinyl)-(2-methoxy-5-methylphenyl)methanone has a molecular weight of 261.71 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-2-pyridinyl)-(2-methoxy-5-methylphenyl)methanone is sourced from PubChem (CID 103443137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).