N-(5-bromo-2-methoxyphenyl)-3-fluoropyridine-4-carboxamide

C13H10BrFN2O2 — CID 64949895

IUPACN-(5-bromo-2-methoxyphenyl)-3-fluoropyridine-4-carboxamide
SMILESCOc1ccc(Br)cc1NC(=O)c1ccncc1F
InChIInChI=1S/C13H10BrFN2O2/c1-19-12-3-2-8(14)6-11(12)17-13(18)9-4-5-16-7-10(9)15/h2-7H,1H3,(H,17,18)
InChIKeyBMTCBQKKATUJHT-UHFFFAOYSA-N
MW325.14 g/mol
LogP3.24
Rot. Bonds3

About N-(5-bromo-2-methoxyphenyl)-3-fluoropyridine-4-carboxamide

N-(5-bromo-2-methoxyphenyl)-3-fluoropyridine-4-carboxamide (PubChem CID 64949895) has the molecular formula C13H10BrFN2O2 and a molecular weight of 325.14 g/mol. Its IUPAC name is N-(5-bromo-2-methoxyphenyl)-3-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-methoxyphenyl)-3-fluoropyridine-4-carboxamide
PubChem CID64949895
Molecular FormulaC13H10BrFN2O2
Molecular Weight325.14 g/mol
Exact Mass323.99
IUPAC NameN-(5-bromo-2-methoxyphenyl)-3-fluoropyridine-4-carboxamide
SMILESCOc1ccc(Br)cc1NC(=O)c1ccncc1F
InChIInChI=1S/C13H10BrFN2O2/c1-19-12-3-2-8(14)6-11(12)17-13(18)9-4-5-16-7-10(9)15/h2-7H,1H3,(H,17,18)
InChIKeyBMTCBQKKATUJHT-UHFFFAOYSA-N
XLogP3.24
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.14
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-dimethoxyphenyl)-3-fluoropyridine-4-carboxamide
CID 115645348
N-(5-bromo-2-methoxyphenyl)-2,4-difluorobenzamide
CID 47317531
N-(5-bromo-2-methoxyphenyl)-2,5-difluorobenzamide
CID 61074380
4-bromo-N-(5-chloro-2-methoxyphenyl)-2-fluorobenzamide
CID 26688337
N-(5-bromo-2-methoxyphenyl)-2-fluoro-5-methylbenzamide
CID 62515870
4-bromo-N-(5-bromo-2-methoxyphenyl)-2-methoxybenzamide
CID 78987917
4-amino-N-(5-bromo-2-methoxyphenyl)-3,5-difluorobenzamide
CID 63185721
N-(3-amino-4-pyridinyl)-4-bromo-2-methoxybenzamide
CID 115368565
N-(5-bromo-2-methoxyphenyl)-5-fluoro-2-hydroxybenzamide
CID 115298790
N-(4-chloro-3-methoxyphenyl)-3-fluoropyridine-4-carboxamide
CID 99842680
N-[4-bromo-2-[(E)-N'-hydroxycarbamimidoyl]phenyl]-3-fluoropyridine-4-carboxamide
CID 82697910
N-(5-bromo-2-methoxyphenyl)-3-chloro-2-fluorobenzamide
CID 80974125

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-methoxyphenyl)-3-fluoropyridine-4-carboxamide?
The IUPAC name of N-(5-bromo-2-methoxyphenyl)-3-fluoropyridine-4-carboxamide (CID 64949895) is N-(5-bromo-2-methoxyphenyl)-3-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-(5-bromo-2-methoxyphenyl)-3-fluoropyridine-4-carboxamide?
The canonical SMILES for N-(5-bromo-2-methoxyphenyl)-3-fluoropyridine-4-carboxamide is COc1ccc(Br)cc1NC(=O)c1ccncc1F.
What is the InChIKey of N-(5-bromo-2-methoxyphenyl)-3-fluoropyridine-4-carboxamide?
The InChIKey is BMTCBQKKATUJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrFN2O2/c1-19-12-3-2-8(14)6-11(12)17-13(18)9-4-5-16-7-10(9)15/h2-7H,1H3,(H,17,18).
What are the key properties of N-(5-bromo-2-methoxyphenyl)-3-fluoropyridine-4-carboxamide?
N-(5-bromo-2-methoxyphenyl)-3-fluoropyridine-4-carboxamide has a molecular weight of 325.14 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-methoxyphenyl)-3-fluoropyridine-4-carboxamide is sourced from PubChem (CID 64949895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).