methyl 3-(3-bromophenyl)pyridine-2-carboxylate

C13H10BrNO2 — CID 102538275

IUPACmethyl 3-(3-bromophenyl)pyridine-2-carboxylate
SMILESCOC(=O)c1ncccc1-c1cccc(Br)c1
InChIInChI=1S/C13H10BrNO2/c1-17-13(16)12-11(6-3-7-15-12)9-4-2-5-10(14)8-9/h2-8H,1H3
InChIKeyKRPMGNLODCGKEQ-UHFFFAOYSA-N
MW292.13 g/mol
LogP3.30
Rot. Bonds2

About methyl 3-(3-bromophenyl)pyridine-2-carboxylate

methyl 3-(3-bromophenyl)pyridine-2-carboxylate (PubChem CID 102538275) has the molecular formula C13H10BrNO2 and a molecular weight of 292.13 g/mol. Its IUPAC name is methyl 3-(3-bromophenyl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-(3-bromophenyl)pyridine-2-carboxylate
PubChem CID102538275
Molecular FormulaC13H10BrNO2
Molecular Weight292.13 g/mol
Exact Mass290.99
IUPAC Namemethyl 3-(3-bromophenyl)pyridine-2-carboxylate
SMILESCOC(=O)c1ncccc1-c1cccc(Br)c1
InChIInChI=1S/C13H10BrNO2/c1-17-13(16)12-11(6-3-7-15-12)9-4-2-5-10(14)8-9/h2-8H,1H3
InChIKeyKRPMGNLODCGKEQ-UHFFFAOYSA-N
XLogP3.30
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.13
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[3-(trifluoromethyl)phenyl]pyridine-2-carboxylate
CID 134634607
methyl 3-(3-bromobenzoyl)pyridine-2-carboxylate
CID 19700837
methyl 3-(3-fluoro-4-trimethylsilylphenyl)pyridine-2-carboxylate
CID 150115292
methyl 3-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate
CID 141441800
3-(3-methoxyphenyl)pyridine-2-carboxylic acid
CID 52983911
methyl 3-(3-fluoro-5-methyl-2-pyridinyl)pyridine-2-carboxylate
CID 175067958
dimethyl 2-(3-bromophenyl)-1,3-oxazole-4,5-dicarboxylate
CID 102953612
3-(3-fluoro-4-methoxycarbonylphenyl)pyridine-2-carboxylic acid
CID 53224145
methyl 4-amino-2-(3-bromophenyl)pyrimidine-5-carboxylate
CID 116646647
methyl 3-quinolin-8-ylbenzoate
CID 4189037
methyl 2-(3-bromophenyl)-5-ethyl-1H-imidazole-4-carboxylate
CID 61410605
methyl 3-[2-(trifluoromethyl)phenyl]pyridine-2-carboxylate
CID 134634494

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-bromophenyl)pyridine-2-carboxylate?
The IUPAC name of methyl 3-(3-bromophenyl)pyridine-2-carboxylate (CID 102538275) is methyl 3-(3-bromophenyl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 3-(3-bromophenyl)pyridine-2-carboxylate?
The canonical SMILES for methyl 3-(3-bromophenyl)pyridine-2-carboxylate is COC(=O)c1ncccc1-c1cccc(Br)c1.
What is the InChIKey of methyl 3-(3-bromophenyl)pyridine-2-carboxylate?
The InChIKey is KRPMGNLODCGKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrNO2/c1-17-13(16)12-11(6-3-7-15-12)9-4-2-5-10(14)8-9/h2-8H,1H3.
What are the key properties of methyl 3-(3-bromophenyl)pyridine-2-carboxylate?
methyl 3-(3-bromophenyl)pyridine-2-carboxylate has a molecular weight of 292.13 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-bromophenyl)pyridine-2-carboxylate is sourced from PubChem (CID 102538275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).