N-(2-bromo-4-fluorophenyl)-5-chloro-2-(methylamino)pyridine-4-carboxamide

C13H10BrClFN3O — CID 114922037

IUPACN-(2-bromo-4-fluorophenyl)-5-chloro-2-(methylamino)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)Nc2ccc(F)cc2Br)c(Cl)cn1
InChIInChI=1S/C13H10BrClFN3O/c1-17-12-5-8(10(15)6-18-12)13(20)19-11-3-2-7(16)4-9(11)14/h2-6H,1H3,(H,17,18)(H,19,20)
InChIKeyPKEBFSIJWHPCTP-UHFFFAOYSA-N
MW358.60 g/mol
LogP3.93
Rot. Bonds3

About N-(2-bromo-4-fluorophenyl)-5-chloro-2-(methylamino)pyridine-4-carboxamide

N-(2-bromo-4-fluorophenyl)-5-chloro-2-(methylamino)pyridine-4-carboxamide (PubChem CID 114922037) has the molecular formula C13H10BrClFN3O and a molecular weight of 358.60 g/mol. Its IUPAC name is N-(2-bromo-4-fluorophenyl)-5-chloro-2-(methylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-4-fluorophenyl)-5-chloro-2-(methylamino)pyridine-4-carboxamide
PubChem CID114922037
Molecular FormulaC13H10BrClFN3O
Molecular Weight358.60 g/mol
Exact Mass356.97
IUPAC NameN-(2-bromo-4-fluorophenyl)-5-chloro-2-(methylamino)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)Nc2ccc(F)cc2Br)c(Cl)cn1
InChIInChI=1S/C13H10BrClFN3O/c1-17-12-5-8(10(15)6-18-12)13(20)19-11-3-2-7(16)4-9(11)14/h2-6H,1H3,(H,17,18)(H,19,20)
InChIKeyPKEBFSIJWHPCTP-UHFFFAOYSA-N
XLogP3.93
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.60
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromophenyl)-5-chloro-2-(methylamino)pyridine-4-carboxamide
CID 114921871
N-(4-bromo-2-chlorophenyl)-5-chloro-2-(methylamino)pyridine-4-carboxamide
CID 114922117
5-chloro-N-(2,5-dibromophenyl)-2-(methylamino)pyridine-4-carboxamide
CID 114922872
N-(3-bromo-4-fluorophenyl)-5-chloro-2-(methylamino)pyridine-4-carboxamide
CID 114924481
5-chloro-N-(2-fluorophenyl)-2-(methylamino)pyridine-4-carboxamide
CID 114921898
N-(2-bromo-4-fluorophenyl)-2-(methylamino)pyridine-4-carboxamide
CID 62165424
5-chloro-N-(2-chloro-4-fluorophenyl)-2-(ethylamino)pyridine-4-carboxamide
CID 114922085
5-chloro-N-(2,4-dibromophenyl)-2-(ethylamino)pyridine-4-carboxamide
CID 114923151
5-chloro-2-(methylamino)-N-(2-methyl-3-pyridinyl)pyridine-4-carboxamide
CID 114923981
5-chloro-N-(2-chloro-6-fluorophenyl)-2-(methylamino)pyridine-4-carboxamide
CID 114924765
5-chloro-N-(3,4-dichlorophenyl)-2-(methylamino)pyridine-4-carboxamide
CID 114921560
2,5-dichloro-N-(4-fluoro-2-methylphenyl)pyridine-4-carboxamide
CID 114917077

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-fluorophenyl)-5-chloro-2-(methylamino)pyridine-4-carboxamide?
The IUPAC name of N-(2-bromo-4-fluorophenyl)-5-chloro-2-(methylamino)pyridine-4-carboxamide (CID 114922037) is N-(2-bromo-4-fluorophenyl)-5-chloro-2-(methylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-(2-bromo-4-fluorophenyl)-5-chloro-2-(methylamino)pyridine-4-carboxamide?
The canonical SMILES for N-(2-bromo-4-fluorophenyl)-5-chloro-2-(methylamino)pyridine-4-carboxamide is CNc1cc(C(=O)Nc2ccc(F)cc2Br)c(Cl)cn1.
What is the InChIKey of N-(2-bromo-4-fluorophenyl)-5-chloro-2-(methylamino)pyridine-4-carboxamide?
The InChIKey is PKEBFSIJWHPCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClFN3O/c1-17-12-5-8(10(15)6-18-12)13(20)19-11-3-2-7(16)4-9(11)14/h2-6H,1H3,(H,17,18)(H,19,20).
What are the key properties of N-(2-bromo-4-fluorophenyl)-5-chloro-2-(methylamino)pyridine-4-carboxamide?
N-(2-bromo-4-fluorophenyl)-5-chloro-2-(methylamino)pyridine-4-carboxamide has a molecular weight of 358.60 g/mol, XLogP of 3.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-fluorophenyl)-5-chloro-2-(methylamino)pyridine-4-carboxamide is sourced from PubChem (CID 114922037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).