methyl 2-(4-bromo-2-methoxyphenyl)pyridine-3-carboxylate

C14H12BrNO3 — CID 177204669

IUPACmethyl 2-(4-bromo-2-methoxyphenyl)pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1-c1ccc(Br)cc1OC
InChIInChI=1S/C14H12BrNO3/c1-18-12-8-9(15)5-6-10(12)13-11(14(17)19-2)4-3-7-16-13/h3-8H,1-2H3
InChIKeyRNKZDSNYURWNNQ-UHFFFAOYSA-N
MW322.16 g/mol
LogP3.31
Rot. Bonds3

About methyl 2-(4-bromo-2-methoxyphenyl)pyridine-3-carboxylate

methyl 2-(4-bromo-2-methoxyphenyl)pyridine-3-carboxylate (PubChem CID 177204669) has the molecular formula C14H12BrNO3 and a molecular weight of 322.16 g/mol. Its IUPAC name is methyl 2-(4-bromo-2-methoxyphenyl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-bromo-2-methoxyphenyl)pyridine-3-carboxylate
PubChem CID177204669
Molecular FormulaC14H12BrNO3
Molecular Weight322.16 g/mol
Exact Mass321.00
IUPAC Namemethyl 2-(4-bromo-2-methoxyphenyl)pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1-c1ccc(Br)cc1OC
InChIInChI=1S/C14H12BrNO3/c1-18-12-8-9(15)5-6-10(12)13-11(14(17)19-2)4-3-7-16-13/h3-8H,1-2H3
InChIKeyRNKZDSNYURWNNQ-UHFFFAOYSA-N
XLogP3.31
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.16
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dimethoxyphenyl)pyridine-3-carboxylic acid
CID 53223736
methyl 2-(2-methoxy-4-pyridinyl)pyridine-3-carboxylate
CID 155342393
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CID 103819401
(4-bromo-2-methoxyphenyl)-quinolin-5-ylmethanone
CID 115789920
methyl 3-(3-bromophenyl)pyridine-2-carboxylate
CID 102538275
methyl 2-[2-(4-bromophenyl)ethenyl]pyridine-3-carboxylate
CID 122455034
methyl 2-(3-bromo-N-methylanilino)pyridine-3-carboxylate
CID 155133935
methyl 2-(1H-indol-3-yl)pyridine-3-carboxylate
CID 15287367
[2-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]-piperidin-1-ylmethanone
CID 74230165
methyl 2-methylpyridine-3-carboxylate
CID 7015327
methyl 4-bromo-2-[tert-butyl(dimethyl)silyl]oxybenzoate
CID 167729068
(5-bromo-2-chlorophenyl)-(3-methoxy-2-pyridinyl)methanone
CID 114054374

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-bromo-2-methoxyphenyl)pyridine-3-carboxylate?
The IUPAC name of methyl 2-(4-bromo-2-methoxyphenyl)pyridine-3-carboxylate (CID 177204669) is methyl 2-(4-bromo-2-methoxyphenyl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-(4-bromo-2-methoxyphenyl)pyridine-3-carboxylate?
The canonical SMILES for methyl 2-(4-bromo-2-methoxyphenyl)pyridine-3-carboxylate is COC(=O)c1cccnc1-c1ccc(Br)cc1OC.
What is the InChIKey of methyl 2-(4-bromo-2-methoxyphenyl)pyridine-3-carboxylate?
The InChIKey is RNKZDSNYURWNNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO3/c1-18-12-8-9(15)5-6-10(12)13-11(14(17)19-2)4-3-7-16-13/h3-8H,1-2H3.
What are the key properties of methyl 2-(4-bromo-2-methoxyphenyl)pyridine-3-carboxylate?
methyl 2-(4-bromo-2-methoxyphenyl)pyridine-3-carboxylate has a molecular weight of 322.16 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-bromo-2-methoxyphenyl)pyridine-3-carboxylate is sourced from PubChem (CID 177204669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).