3-bromo-N-[(3-chloro-4-fluorophenyl)methyl]pyridine-2-carboxamide

C13H9BrClFN2O — CID 107518917

IUPAC3-bromo-N-[(3-chloro-4-fluorophenyl)methyl]pyridine-2-carboxamide
SMILESO=C(NCc1ccc(F)c(Cl)c1)c1ncccc1Br
InChIInChI=1S/C13H9BrClFN2O/c14-9-2-1-5-17-12(9)13(19)18-7-8-3-4-11(16)10(15)6-8/h1-6H,7H2,(H,18,19)
InChIKeyZTXMXHRDEYWRSR-UHFFFAOYSA-N
MW343.58 g/mol
LogP3.57
Rot. Bonds3

About 3-bromo-N-[(3-chloro-4-fluorophenyl)methyl]pyridine-2-carboxamide

3-bromo-N-[(3-chloro-4-fluorophenyl)methyl]pyridine-2-carboxamide (PubChem CID 107518917) has the molecular formula C13H9BrClFN2O and a molecular weight of 343.58 g/mol. Its IUPAC name is 3-bromo-N-[(3-chloro-4-fluorophenyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-[(3-chloro-4-fluorophenyl)methyl]pyridine-2-carboxamide
PubChem CID107518917
Molecular FormulaC13H9BrClFN2O
Molecular Weight343.58 g/mol
Exact Mass341.96
IUPAC Name3-bromo-N-[(3-chloro-4-fluorophenyl)methyl]pyridine-2-carboxamide
SMILESO=C(NCc1ccc(F)c(Cl)c1)c1ncccc1Br
InChIInChI=1S/C13H9BrClFN2O/c14-9-2-1-5-17-12(9)13(19)18-7-8-3-4-11(16)10(15)6-8/h1-6H,7H2,(H,18,19)
InChIKeyZTXMXHRDEYWRSR-UHFFFAOYSA-N
XLogP3.57
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.58
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-[(3-chloro-4-fluorophenyl)methyl]-4-fluorobenzamide
CID 103707226
3-bromo-N-[(3-hydroxyphenyl)methyl]pyridine-2-carboxamide
CID 107519523
N-[(3-aminophenyl)methyl]-3-bromopyridine-2-carboxamide
CID 107516900
N-(1,3-benzodioxol-5-ylmethyl)-3-bromopyridine-2-carboxamide
CID 107518056
N-[(3-chloro-4-fluorophenyl)methyl]-2-fluoropyridine-4-carboxamide
CID 62537287
N-[(3-chloro-4-fluorophenyl)methyl]benzamide
CID 62721837
3-bromo-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 107517841
5,6-dichloro-N-[(3-chloro-4-fluorophenyl)methyl]pyridine-3-carboxamide
CID 62537774
3-bromo-N-[[4-(difluoromethoxy)phenyl]methyl]pyridine-2-carboxamide
CID 107518753
3-chloro-N-[(3-chloro-4-fluorophenyl)methyl]pyridine-4-carboxamide
CID 66484344
methyl 4-[[(3-bromopyridine-2-carbonyl)amino]methyl]benzoate
CID 107518096
4-N-[(3-chloro-4-fluorophenyl)methyl]-6-N-[(3,4-difluorophenyl)methyl]pyrimidine-4,6-dicarboxamide
CID 20824244

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(3-chloro-4-fluorophenyl)methyl]pyridine-2-carboxamide?
The IUPAC name of 3-bromo-N-[(3-chloro-4-fluorophenyl)methyl]pyridine-2-carboxamide (CID 107518917) is 3-bromo-N-[(3-chloro-4-fluorophenyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-bromo-N-[(3-chloro-4-fluorophenyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 3-bromo-N-[(3-chloro-4-fluorophenyl)methyl]pyridine-2-carboxamide is O=C(NCc1ccc(F)c(Cl)c1)c1ncccc1Br.
What is the InChIKey of 3-bromo-N-[(3-chloro-4-fluorophenyl)methyl]pyridine-2-carboxamide?
The InChIKey is ZTXMXHRDEYWRSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClFN2O/c14-9-2-1-5-17-12(9)13(19)18-7-8-3-4-11(16)10(15)6-8/h1-6H,7H2,(H,18,19).
What are the key properties of 3-bromo-N-[(3-chloro-4-fluorophenyl)methyl]pyridine-2-carboxamide?
3-bromo-N-[(3-chloro-4-fluorophenyl)methyl]pyridine-2-carboxamide has a molecular weight of 343.58 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(3-chloro-4-fluorophenyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 107518917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).