6-bromo-N-[(3,4-difluorophenyl)methyl]-N-methylpyridine-3-carboxamide

C14H11BrF2N2O — CID 66464077

IUPAC6-bromo-N-[(3,4-difluorophenyl)methyl]-N-methylpyridine-3-carboxamide
SMILESCN(Cc1ccc(F)c(F)c1)C(=O)c1ccc(Br)nc1
InChIInChI=1S/C14H11BrF2N2O/c1-19(8-9-2-4-11(16)12(17)6-9)14(20)10-3-5-13(15)18-7-10/h2-7H,8H2,1H3
InChIKeyRYFUUDSYDGXCHX-UHFFFAOYSA-N
MW341.16 g/mol
LogP3.39
Rot. Bonds3

About 6-bromo-N-[(3,4-difluorophenyl)methyl]-N-methylpyridine-3-carboxamide

6-bromo-N-[(3,4-difluorophenyl)methyl]-N-methylpyridine-3-carboxamide (PubChem CID 66464077) has the molecular formula C14H11BrF2N2O and a molecular weight of 341.16 g/mol. Its IUPAC name is 6-bromo-N-[(3,4-difluorophenyl)methyl]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-bromo-N-[(3,4-difluorophenyl)methyl]-N-methylpyridine-3-carboxamide
PubChem CID66464077
Molecular FormulaC14H11BrF2N2O
Molecular Weight341.16 g/mol
Exact Mass340.00
IUPAC Name6-bromo-N-[(3,4-difluorophenyl)methyl]-N-methylpyridine-3-carboxamide
SMILESCN(Cc1ccc(F)c(F)c1)C(=O)c1ccc(Br)nc1
InChIInChI=1S/C14H11BrF2N2O/c1-19(8-9-2-4-11(16)12(17)6-9)14(20)10-3-5-13(15)18-7-10/h2-7H,8H2,1H3
InChIKeyRYFUUDSYDGXCHX-UHFFFAOYSA-N
XLogP3.39
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.16
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-bromo-N-[(3-hydroxyphenyl)methyl]-N-methylpyridine-3-carboxamide
CID 66464110
5-bromo-N-[(3,4-difluorophenyl)methyl]-N-methylpyridine-3-carboxamide
CID 60729547
6-bromo-N-methyl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 66463472
4-bromo-N-[(3,4-difluorophenyl)methyl]-2-fluoro-N-methylbenzamide
CID 60728865
5-bromo-N-[(3,4-difluorophenyl)methyl]-N,4-dimethylthiophene-2-carboxamide
CID 79930066
N-[(4-bromophenyl)methyl]-4-fluoro-3-methoxy-N-methylbenzamide
CID 80960501
4-bromo-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzamide
CID 60652530
6-bromo-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyridine-3-carboxamide
CID 66463145
2-bromo-N-[(4-fluorophenyl)methyl]-N-methylpyridine-4-carboxamide
CID 103753880
ethyl N-[(3,4-difluorophenyl)methyl]-N-methylcarbamate
CID 60729593
4-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzamide
CID 78797061
6-fluoro-N-[(4-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide
CID 63979680

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[(3,4-difluorophenyl)methyl]-N-methylpyridine-3-carboxamide?
The IUPAC name of 6-bromo-N-[(3,4-difluorophenyl)methyl]-N-methylpyridine-3-carboxamide (CID 66464077) is 6-bromo-N-[(3,4-difluorophenyl)methyl]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 6-bromo-N-[(3,4-difluorophenyl)methyl]-N-methylpyridine-3-carboxamide?
The canonical SMILES for 6-bromo-N-[(3,4-difluorophenyl)methyl]-N-methylpyridine-3-carboxamide is CN(Cc1ccc(F)c(F)c1)C(=O)c1ccc(Br)nc1.
What is the InChIKey of 6-bromo-N-[(3,4-difluorophenyl)methyl]-N-methylpyridine-3-carboxamide?
The InChIKey is RYFUUDSYDGXCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF2N2O/c1-19(8-9-2-4-11(16)12(17)6-9)14(20)10-3-5-13(15)18-7-10/h2-7H,8H2,1H3.
What are the key properties of 6-bromo-N-[(3,4-difluorophenyl)methyl]-N-methylpyridine-3-carboxamide?
6-bromo-N-[(3,4-difluorophenyl)methyl]-N-methylpyridine-3-carboxamide has a molecular weight of 341.16 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[(3,4-difluorophenyl)methyl]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 66464077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).