methyl 4-(2-chloro-6-methoxyphenyl)-6-methylpyridine-3-carboxylate

C15H14ClNO3 — CID 166162954

IUPACmethyl 4-(2-chloro-6-methoxyphenyl)-6-methylpyridine-3-carboxylate
SMILESCOC(=O)c1cnc(C)cc1-c1c(Cl)cccc1OC
InChIInChI=1S/C15H14ClNO3/c1-9-7-10(11(8-17-9)15(18)20-3)14-12(16)5-4-6-13(14)19-2/h4-8H,1-3H3
InChIKeyYRZDCYOKUNJLSO-UHFFFAOYSA-N
MW291.73 g/mol
LogP3.51
Rot. Bonds3

About methyl 4-(2-chloro-6-methoxyphenyl)-6-methylpyridine-3-carboxylate

methyl 4-(2-chloro-6-methoxyphenyl)-6-methylpyridine-3-carboxylate (PubChem CID 166162954) has the molecular formula C15H14ClNO3 and a molecular weight of 291.73 g/mol. Its IUPAC name is methyl 4-(2-chloro-6-methoxyphenyl)-6-methylpyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2-chloro-6-methoxyphenyl)-6-methylpyridine-3-carboxylate
PubChem CID166162954
Molecular FormulaC15H14ClNO3
Molecular Weight291.73 g/mol
Exact Mass291.07
IUPAC Namemethyl 4-(2-chloro-6-methoxyphenyl)-6-methylpyridine-3-carboxylate
SMILESCOC(=O)c1cnc(C)cc1-c1c(Cl)cccc1OC
InChIInChI=1S/C15H14ClNO3/c1-9-7-10(11(8-17-9)15(18)20-3)14-12(16)5-4-6-13(14)19-2/h4-8H,1-3H3
InChIKeyYRZDCYOKUNJLSO-UHFFFAOYSA-N
XLogP3.51
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.73
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-(4-chloro-2-fluorophenyl)-6-methylpyridine-3-carboxylate
CID 86695958
methyl 4-(2-ethynylphenyl)-6-methylpyridine-3-carboxylate
CID 168984855
methyl 2-(2,6-dichlorophenyl)-4-fluorobenzoate
CID 119013650
methyl 4-(5-bromo-2-chloro-4-pyridinyl)-6-methylpyridine-3-carboxylate
CID 166163179
4-(5-chloro-2-methoxycarbonylphenyl)-6-methylpyridine-3-carboxylic acid
CID 166163521
methyl 4-(2-cyclopropyl-5-methoxy-4-pyridinyl)-6-methylpyridine-3-carboxylate
CID 166163037
methyl 5-(2,6-dichlorophenyl)-2-fluoropyridine-3-carboxylate
CID 133090529
methyl 2-chloro-3-methoxybenzoate
CID 10262208
methyl 4-iodo-6-methylpyridine-3-carboxylate
CID 166162841
methyl 3-methoxy-2-methylbenzoate
CID 12527049
4-chloro-N-(4-fluoro-2-methoxyphenyl)-6-methylpyridine-3-carboxamide
CID 81227053
methyl 2-chloro-5-(6-methyl-3-pyridinyl)benzoate
CID 58818175

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-chloro-6-methoxyphenyl)-6-methylpyridine-3-carboxylate?
The IUPAC name of methyl 4-(2-chloro-6-methoxyphenyl)-6-methylpyridine-3-carboxylate (CID 166162954) is methyl 4-(2-chloro-6-methoxyphenyl)-6-methylpyridine-3-carboxylate.
What is the SMILES notation for methyl 4-(2-chloro-6-methoxyphenyl)-6-methylpyridine-3-carboxylate?
The canonical SMILES for methyl 4-(2-chloro-6-methoxyphenyl)-6-methylpyridine-3-carboxylate is COC(=O)c1cnc(C)cc1-c1c(Cl)cccc1OC.
What is the InChIKey of methyl 4-(2-chloro-6-methoxyphenyl)-6-methylpyridine-3-carboxylate?
The InChIKey is YRZDCYOKUNJLSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO3/c1-9-7-10(11(8-17-9)15(18)20-3)14-12(16)5-4-6-13(14)19-2/h4-8H,1-3H3.
What are the key properties of methyl 4-(2-chloro-6-methoxyphenyl)-6-methylpyridine-3-carboxylate?
methyl 4-(2-chloro-6-methoxyphenyl)-6-methylpyridine-3-carboxylate has a molecular weight of 291.73 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-chloro-6-methoxyphenyl)-6-methylpyridine-3-carboxylate is sourced from PubChem (CID 166162954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).