(5-chloro-2-pyridinyl)-(3,5-dimethoxy-4-methylphenyl)methanone

C15H14ClNO3 — CID 169324742

IUPAC(5-chloro-2-pyridinyl)-(3,5-dimethoxy-4-methylphenyl)methanone
SMILESCOc1cc(C(=O)c2ccc(Cl)cn2)cc(OC)c1C
InChIInChI=1S/C15H14ClNO3/c1-9-13(19-2)6-10(7-14(9)20-3)15(18)12-5-4-11(16)8-17-12/h4-8H,1-3H3
InChIKeyRKRJLFCFFZMMOX-UHFFFAOYSA-N
MW291.73 g/mol
LogP3.29
Rot. Bonds4

About (5-chloro-2-pyridinyl)-(3,5-dimethoxy-4-methylphenyl)methanone

(5-chloro-2-pyridinyl)-(3,5-dimethoxy-4-methylphenyl)methanone (PubChem CID 169324742) has the molecular formula C15H14ClNO3 and a molecular weight of 291.73 g/mol. Its IUPAC name is (5-chloro-2-pyridinyl)-(3,5-dimethoxy-4-methylphenyl)methanone.

Molecular Properties

Compound Name(5-chloro-2-pyridinyl)-(3,5-dimethoxy-4-methylphenyl)methanone
PubChem CID169324742
Molecular FormulaC15H14ClNO3
Molecular Weight291.73 g/mol
Exact Mass291.07
IUPAC Name(5-chloro-2-pyridinyl)-(3,5-dimethoxy-4-methylphenyl)methanone
SMILESCOc1cc(C(=O)c2ccc(Cl)cn2)cc(OC)c1C
InChIInChI=1S/C15H14ClNO3/c1-9-13(19-2)6-10(7-14(9)20-3)15(18)12-5-4-11(16)8-17-12/h4-8H,1-3H3
InChIKeyRKRJLFCFFZMMOX-UHFFFAOYSA-N
XLogP3.29
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.73
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5-chloro-2-pyridinyl)-(3-fluoro-4-methylphenyl)methanone
CID 107128378
(5-chloro-2-pyridinyl)-(3-methoxypyrazin-2-yl)methanone
CID 104515020
methyl 5-chloropyridine-2-carboxylate
CID 11298216
N-(5-chloro-2-pyridinyl)-3-methoxy-4-methylbenzamide
CID 47122719
1-(3,5-dimethoxy-4-methylphenyl)ethanone
CID 20697318
5-chloro-N-methoxy-N-methylpyridine-2-carboxamide
CID 59108636
tert-butyl N-[2-(5-chloropyridine-2-carbonyl)-6-methoxyphenyl]carbamate
CID 86713384
(5-amino-2-pyridinyl)-(3,5-dimethoxyphenyl)methanone
CID 116605219
(3-fluoro-4-methoxyphenyl)-[5-(trifluoromethyl)-2-pyridinyl]methanone
CID 105097287
N-(5-chloro-2-pyridinyl)-3,4,5-trimethoxybenzamide
CID 673854
(4-chloro-3-methoxyphenyl)-pyridin-2-ylmethanone
CID 79018159
5-chloro-N-(2,6-dimethyl-4-pyridinyl)pyridine-2-carboxamide
CID 167928774

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-pyridinyl)-(3,5-dimethoxy-4-methylphenyl)methanone?
The IUPAC name of (5-chloro-2-pyridinyl)-(3,5-dimethoxy-4-methylphenyl)methanone (CID 169324742) is (5-chloro-2-pyridinyl)-(3,5-dimethoxy-4-methylphenyl)methanone.
What is the SMILES notation for (5-chloro-2-pyridinyl)-(3,5-dimethoxy-4-methylphenyl)methanone?
The canonical SMILES for (5-chloro-2-pyridinyl)-(3,5-dimethoxy-4-methylphenyl)methanone is COc1cc(C(=O)c2ccc(Cl)cn2)cc(OC)c1C.
What is the InChIKey of (5-chloro-2-pyridinyl)-(3,5-dimethoxy-4-methylphenyl)methanone?
The InChIKey is RKRJLFCFFZMMOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO3/c1-9-13(19-2)6-10(7-14(9)20-3)15(18)12-5-4-11(16)8-17-12/h4-8H,1-3H3.
What are the key properties of (5-chloro-2-pyridinyl)-(3,5-dimethoxy-4-methylphenyl)methanone?
(5-chloro-2-pyridinyl)-(3,5-dimethoxy-4-methylphenyl)methanone has a molecular weight of 291.73 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-pyridinyl)-(3,5-dimethoxy-4-methylphenyl)methanone is sourced from PubChem (CID 169324742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).