(2-bromophenyl) pyridine-2-carboxylate

C12H8BrNO2 — CID 158339017

IUPAC(2-bromophenyl) pyridine-2-carboxylate
SMILESO=C(Oc1ccccc1Br)c1ccccn1
InChIInChI=1S/C12H8BrNO2/c13-9-5-1-2-7-11(9)16-12(15)10-6-3-4-8-14-10/h1-8H
InChIKeyGQXYELIIBASDRS-UHFFFAOYSA-N
MW278.11 g/mol
LogP3.06
Rot. Bonds2

About (2-bromophenyl) pyridine-2-carboxylate

(2-bromophenyl) pyridine-2-carboxylate (PubChem CID 158339017) has the molecular formula C12H8BrNO2 and a molecular weight of 278.11 g/mol. Its IUPAC name is (2-bromophenyl) pyridine-2-carboxylate.

Molecular Properties

Compound Name(2-bromophenyl) pyridine-2-carboxylate
PubChem CID158339017
Molecular FormulaC12H8BrNO2
Molecular Weight278.11 g/mol
Exact Mass276.97
IUPAC Name(2-bromophenyl) pyridine-2-carboxylate
SMILESO=C(Oc1ccccc1Br)c1ccccn1
InChIInChI=1S/C12H8BrNO2/c13-9-5-1-2-7-11(9)16-12(15)10-6-3-4-8-14-10/h1-8H
InChIKeyGQXYELIIBASDRS-UHFFFAOYSA-N
XLogP3.06
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.11
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(2-bromophenyl) 1H-imidazole-2-carboxylate
CID 141157563
[3-bromo-1-[3-bromo-2-(pyridine-2-carbonyloxy)naphthalen-1-yl]naphthalen-2-yl] pyridine-2-carboxylate
CID 101398891
(2-bromophenyl) 5-amino-1,2-oxazole-3-carboxylate
CID 117215005
(4-chloronaphthalen-1-yl) pyridine-2-carboxylate
CID 18075291
(2,4-dichloro-5-methylphenyl) pyridine-2-carboxylate
CID 166584107
(3-bromo-4-methoxyphenyl)methyl pyridine-2-carboperoxoate
CID 169175239
ethyl pyridine-2-carboxylate
CID 17307
N'-(2-bromobenzoyl)pyridine-2-carbohydrazide
CID 26533733
(4-fluorobenzoyl) pyridine-2-carboxylate
CID 154414835
prop-1-ynyl pyridine-2-carboxylate
CID 146626956
gadolinium;pyridine-2-carboxylic acid
CID 175231422
(2-bromophenyl) 1,3-benzothiazole-6-carboxylate
CID 18083330

Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl) pyridine-2-carboxylate?
The IUPAC name of (2-bromophenyl) pyridine-2-carboxylate (CID 158339017) is (2-bromophenyl) pyridine-2-carboxylate.
What is the SMILES notation for (2-bromophenyl) pyridine-2-carboxylate?
The canonical SMILES for (2-bromophenyl) pyridine-2-carboxylate is O=C(Oc1ccccc1Br)c1ccccn1.
What is the InChIKey of (2-bromophenyl) pyridine-2-carboxylate?
The InChIKey is GQXYELIIBASDRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrNO2/c13-9-5-1-2-7-11(9)16-12(15)10-6-3-4-8-14-10/h1-8H.
What are the key properties of (2-bromophenyl) pyridine-2-carboxylate?
(2-bromophenyl) pyridine-2-carboxylate has a molecular weight of 278.11 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl) pyridine-2-carboxylate is sourced from PubChem (CID 158339017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).