3-bromo-N-[3-(difluoromethoxy)phenyl]pyridine-2-carboxamide

C13H9BrF2N2O2 — CID 107518301

IUPAC3-bromo-N-[3-(difluoromethoxy)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1cccc(OC(F)F)c1)c1ncccc1Br
InChIInChI=1S/C13H9BrF2N2O2/c14-10-5-2-6-17-11(10)12(19)18-8-3-1-4-9(7-8)20-13(15)16/h1-7,13H,(H,18,19)
InChIKeyNVTPKOBJFIZCJB-UHFFFAOYSA-N
MW343.13 g/mol
LogP3.70
Rot. Bonds4

About 3-bromo-N-[3-(difluoromethoxy)phenyl]pyridine-2-carboxamide

3-bromo-N-[3-(difluoromethoxy)phenyl]pyridine-2-carboxamide (PubChem CID 107518301) has the molecular formula C13H9BrF2N2O2 and a molecular weight of 343.13 g/mol. Its IUPAC name is 3-bromo-N-[3-(difluoromethoxy)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-[3-(difluoromethoxy)phenyl]pyridine-2-carboxamide
PubChem CID107518301
Molecular FormulaC13H9BrF2N2O2
Molecular Weight343.13 g/mol
Exact Mass341.98
IUPAC Name3-bromo-N-[3-(difluoromethoxy)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1cccc(OC(F)F)c1)c1ncccc1Br
InChIInChI=1S/C13H9BrF2N2O2/c14-10-5-2-6-17-11(10)12(19)18-8-3-1-4-9(7-8)20-13(15)16/h1-7,13H,(H,18,19)
InChIKeyNVTPKOBJFIZCJB-UHFFFAOYSA-N
XLogP3.70
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.13
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-bromo-N-[3-(difluoromethoxy)phenyl]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(2-aminoethoxy)phenyl]-3-bromopyridine-2-carboxamide
CID 107519972
3-bromo-N-[[4-(difluoromethoxy)phenyl]methyl]pyridine-2-carboxamide
CID 107518753
6-bromo-N-[3-(difluoromethoxy)phenyl]pyridine-3-carboxamide
CID 66463307
3-bromo-N-(3,4-dimethylphenyl)pyridine-2-carboxamide
CID 107517768
3-bromo-N-[3-(1H-pyrazol-5-yl)phenyl]pyridine-2-carboxamide
CID 107518369
N-[3-(difluoromethoxy)phenyl]-6-fluoropyridine-2-carboxamide
CID 115497227
N-[3-(difluoromethoxy)phenyl]-5-methylpyrazine-2-carboxamide
CID 47222176
3-bromo-N-(3,4-dicyanophenyl)pyridine-2-carboxamide
CID 107791028
5-[(3-bromopyridine-2-carbonyl)amino]-2-hydroxybenzoic acid
CID 107516941
3-bromo-N-(2,2-difluoro-1,3-benzodioxol-5-yl)pyridine-2-carboxamide
CID 107517736
N-(3-amino-4-ethylphenyl)-3-bromopyridine-2-carboxamide
CID 107516882
4-[(3-bromopyridine-2-carbonyl)amino]-2-methylbenzoic acid
CID 107517066

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[3-(difluoromethoxy)phenyl]pyridine-2-carboxamide?
The IUPAC name of 3-bromo-N-[3-(difluoromethoxy)phenyl]pyridine-2-carboxamide (CID 107518301) is 3-bromo-N-[3-(difluoromethoxy)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-bromo-N-[3-(difluoromethoxy)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 3-bromo-N-[3-(difluoromethoxy)phenyl]pyridine-2-carboxamide is O=C(Nc1cccc(OC(F)F)c1)c1ncccc1Br.
What is the InChIKey of 3-bromo-N-[3-(difluoromethoxy)phenyl]pyridine-2-carboxamide?
The InChIKey is NVTPKOBJFIZCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrF2N2O2/c14-10-5-2-6-17-11(10)12(19)18-8-3-1-4-9(7-8)20-13(15)16/h1-7,13H,(H,18,19).
What are the key properties of 3-bromo-N-[3-(difluoromethoxy)phenyl]pyridine-2-carboxamide?
3-bromo-N-[3-(difluoromethoxy)phenyl]pyridine-2-carboxamide has a molecular weight of 343.13 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[3-(difluoromethoxy)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 107518301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).