N-[(5-bromo-2-fluorophenyl)methyl]pyridine-4-carboxamide;hydrochloride

C13H11BrClFN2O — CID 110787157

IUPACN-[(5-bromo-2-fluorophenyl)methyl]pyridine-4-carboxamide;hydrochloride
SMILESCl.O=C(NCc1cc(Br)ccc1F)c1ccncc1
InChIInChI=1S/C13H10BrFN2O.ClH/c14-11-1-2-12(15)10(7-11)8-17-13(18)9-3-5-16-6-4-9;/h1-7H,8H2,(H,17,18);1H
InChIKeyNJNPTPBWRLSIRZ-UHFFFAOYSA-N
MW345.60 g/mol
LogP3.34
Rot. Bonds3

About N-[(5-bromo-2-fluorophenyl)methyl]pyridine-4-carboxamide;hydrochloride

N-[(5-bromo-2-fluorophenyl)methyl]pyridine-4-carboxamide;hydrochloride (PubChem CID 110787157) has the molecular formula C13H11BrClFN2O and a molecular weight of 345.60 g/mol. Its IUPAC name is N-[(5-bromo-2-fluorophenyl)methyl]pyridine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(5-bromo-2-fluorophenyl)methyl]pyridine-4-carboxamide;hydrochloride
PubChem CID110787157
Molecular FormulaC13H11BrClFN2O
Molecular Weight345.60 g/mol
Exact Mass343.97
IUPAC NameN-[(5-bromo-2-fluorophenyl)methyl]pyridine-4-carboxamide;hydrochloride
SMILESCl.O=C(NCc1cc(Br)ccc1F)c1ccncc1
InChIInChI=1S/C13H10BrFN2O.ClH/c14-11-1-2-12(15)10(7-11)8-17-13(18)9-3-5-16-6-4-9;/h1-7H,8H2,(H,17,18);1H
InChIKeyNJNPTPBWRLSIRZ-UHFFFAOYSA-N
XLogP3.34
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.60
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-bromo-2-fluorophenyl)methyl]-4-fluorobenzamide
CID 46460791
N-[(5-bromo-2-fluorophenyl)methyl]pyridazine-4-carboxamide
CID 113264962
N-[(5-bromo-2-methylphenyl)methyl]pyridine-4-carboxamide;hydrochloride
CID 110787166
3-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-5-fluorobenzamide
CID 63529302
N-[(5-bromo-2-fluorophenyl)methyl]-4-cyanopyridine-3-carboxamide
CID 115115700
N-[(5-bromo-2-fluorophenyl)methyl]-4-chloro-3-fluorobenzamide
CID 107987901
N-[(5-bromo-2-fluorophenyl)methyl]-3-hydroxybenzamide
CID 61299476
3-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-4-chlorobenzamide
CID 107999117
N-[(5-bromo-2-fluorophenyl)methyl]-5-iodothiophene-3-carboxamide
CID 78948922
N-[(5-bromo-2-fluorophenyl)methyl]-3-fluoro-4-methoxybenzamide
CID 60736763
N-(5-bromo-2-fluorophenyl)pyridine-4-carboxamide
CID 110779492
2-amino-4-bromo-N-[(5-bromo-2-fluorophenyl)methyl]benzamide
CID 79722261

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]pyridine-4-carboxamide;hydrochloride?
The IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]pyridine-4-carboxamide;hydrochloride (CID 110787157) is N-[(5-bromo-2-fluorophenyl)methyl]pyridine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[(5-bromo-2-fluorophenyl)methyl]pyridine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[(5-bromo-2-fluorophenyl)methyl]pyridine-4-carboxamide;hydrochloride is Cl.O=C(NCc1cc(Br)ccc1F)c1ccncc1.
What is the InChIKey of N-[(5-bromo-2-fluorophenyl)methyl]pyridine-4-carboxamide;hydrochloride?
The InChIKey is NJNPTPBWRLSIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrFN2O.ClH/c14-11-1-2-12(15)10(7-11)8-17-13(18)9-3-5-16-6-4-9;/h1-7H,8H2,(H,17,18);1H.
What are the key properties of N-[(5-bromo-2-fluorophenyl)methyl]pyridine-4-carboxamide;hydrochloride?
N-[(5-bromo-2-fluorophenyl)methyl]pyridine-4-carboxamide;hydrochloride has a molecular weight of 345.60 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-fluorophenyl)methyl]pyridine-4-carboxamide;hydrochloride is sourced from PubChem (CID 110787157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).