N-(3-bromo-4,5-difluorophenyl)-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide

C15H12BrF3N2O — CID 169024633

IUPACN-(3-bromo-4,5-difluorophenyl)-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide
SMILESCC(C)(F)c1cc(C(=O)Nc2cc(F)c(F)c(Br)c2)ccn1
InChIInChI=1S/C15H12BrF3N2O/c1-15(2,19)12-5-8(3-4-20-12)14(22)21-9-6-10(16)13(18)11(17)7-9/h3-7H,1-2H3,(H,21,22)
InChIKeyJFXIMUPUJIPFBC-UHFFFAOYSA-N
MW373.17 g/mol
LogP4.58
Rot. Bonds3

About N-(3-bromo-4,5-difluorophenyl)-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide

N-(3-bromo-4,5-difluorophenyl)-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide (PubChem CID 169024633) has the molecular formula C15H12BrF3N2O and a molecular weight of 373.17 g/mol. Its IUPAC name is N-(3-bromo-4,5-difluorophenyl)-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-4,5-difluorophenyl)-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide
PubChem CID169024633
Molecular FormulaC15H12BrF3N2O
Molecular Weight373.17 g/mol
Exact Mass372.01
IUPAC NameN-(3-bromo-4,5-difluorophenyl)-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide
SMILESCC(C)(F)c1cc(C(=O)Nc2cc(F)c(F)c(Br)c2)ccn1
InChIInChI=1S/C15H12BrF3N2O/c1-15(2,19)12-5-8(3-4-20-12)14(22)21-9-6-10(16)13(18)11(17)7-9/h3-7H,1-2H3,(H,21,22)
InChIKeyJFXIMUPUJIPFBC-UHFFFAOYSA-N
XLogP4.58
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.17
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromo-4-pyridinyl)-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide
CID 169024637
2-tert-butyl-N-(3,5-dimethylphenyl)pyridine-4-carboxamide
CID 4731308
2-(1,1-difluoroethyl)-N-methylpyridine-4-carboxamide
CID 177051325
N-[5-(2-chloro-4-pyridinyl)-2-fluorophenyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;fluoromethane
CID 168930044
N-(3-fluoro-4-sulfamoylphenyl)-2-methylpyridine-4-carboxamide
CID 106753258
3-bromo-4-methoxy-N-(3,4,5-trifluorophenyl)benzamide
CID 62814066
2-(2-fluoropropan-2-yl)-N-[3-[5-(2-formyl-4-pyridinyl)-6-methyl-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-methylmethanamine
CID 168929774
2-bromo-N-(4-fluoro-3-methylphenyl)pyridine-4-carboxamide
CID 103755165
2-N-tert-butyl-4-N-(3,4-difluorophenyl)pyridine-2,4-dicarboxamide
CID 109089355
N-(3,4-difluorophenyl)-2-fluoropyridine-4-carboxamide
CID 61295443
N-(2-tert-butyl-4-pyridinyl)pyridine-4-carboxamide
CID 110444823
4-[6-[5-[[2-(2-fluoropropan-2-yl)pyridine-4-carbonyl]amino]-2-methyl-3-pyridinyl]pyridazin-4-yl]-N-methylpyridine-2-carboxamide
CID 170100895

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4,5-difluorophenyl)-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide?
The IUPAC name of N-(3-bromo-4,5-difluorophenyl)-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide (CID 169024633) is N-(3-bromo-4,5-difluorophenyl)-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-(3-bromo-4,5-difluorophenyl)-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide?
The canonical SMILES for N-(3-bromo-4,5-difluorophenyl)-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide is CC(C)(F)c1cc(C(=O)Nc2cc(F)c(F)c(Br)c2)ccn1.
What is the InChIKey of N-(3-bromo-4,5-difluorophenyl)-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide?
The InChIKey is JFXIMUPUJIPFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrF3N2O/c1-15(2,19)12-5-8(3-4-20-12)14(22)21-9-6-10(16)13(18)11(17)7-9/h3-7H,1-2H3,(H,21,22).
What are the key properties of N-(3-bromo-4,5-difluorophenyl)-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide?
N-(3-bromo-4,5-difluorophenyl)-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide has a molecular weight of 373.17 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4,5-difluorophenyl)-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide is sourced from PubChem (CID 169024633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).