2-amino-N-(4-bromo-2-fluorophenyl)pyridine-4-carboxamide

C12H9BrFN3O — CID 62151121

IUPAC2-amino-N-(4-bromo-2-fluorophenyl)pyridine-4-carboxamide
SMILESNc1cc(C(=O)Nc2ccc(Br)cc2F)ccn1
InChIInChI=1S/C12H9BrFN3O/c13-8-1-2-10(9(14)6-8)17-12(18)7-3-4-16-11(15)5-7/h1-6H,(H2,15,16)(H,17,18)
InChIKeyVMTKYNJLZICAFD-UHFFFAOYSA-N
MW310.13 g/mol
LogP2.82
Rot. Bonds2

About 2-amino-N-(4-bromo-2-fluorophenyl)pyridine-4-carboxamide

2-amino-N-(4-bromo-2-fluorophenyl)pyridine-4-carboxamide (PubChem CID 62151121) has the molecular formula C12H9BrFN3O and a molecular weight of 310.13 g/mol. Its IUPAC name is 2-amino-N-(4-bromo-2-fluorophenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-(4-bromo-2-fluorophenyl)pyridine-4-carboxamide
PubChem CID62151121
Molecular FormulaC12H9BrFN3O
Molecular Weight310.13 g/mol
Exact Mass308.99
IUPAC Name2-amino-N-(4-bromo-2-fluorophenyl)pyridine-4-carboxamide
SMILESNc1cc(C(=O)Nc2ccc(Br)cc2F)ccn1
InChIInChI=1S/C12H9BrFN3O/c13-8-1-2-10(9(14)6-8)17-12(18)7-3-4-16-11(15)5-7/h1-6H,(H2,15,16)(H,17,18)
InChIKeyVMTKYNJLZICAFD-UHFFFAOYSA-N
XLogP2.82
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.13
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(4-bromo-2-cyanophenyl)pyridine-4-carboxamide
CID 82704028
2-amino-N-(2,3,4-trifluorophenyl)pyridine-4-carboxamide
CID 62151990
N-(4-bromo-2-fluorophenyl)pyridazine-4-carboxamide
CID 112702158
2-amino-N-(5-bromo-2-methoxyphenyl)pyridine-4-carboxamide
CID 62187195
2-amino-N-(2,3-difluorophenyl)pyridine-4-carboxamide
CID 62161331
3-amino-N-(4-bromo-2-fluorophenyl)-4-ethoxybenzamide
CID 61090839
N-(4-bromo-2-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 43532914
3-amino-N-(4-bromo-2-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 64525794
2-amino-N-(2-cyano-4-fluorophenyl)pyridine-4-carboxamide
CID 82685570
3-amino-N-(4-bromo-2-fluorophenyl)-4-(dimethylamino)benzamide
CID 61090837
N-(4-bromo-2-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 49156312
N-(4-bromo-2-fluorophenyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103997721

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-bromo-2-fluorophenyl)pyridine-4-carboxamide?
The IUPAC name of 2-amino-N-(4-bromo-2-fluorophenyl)pyridine-4-carboxamide (CID 62151121) is 2-amino-N-(4-bromo-2-fluorophenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-amino-N-(4-bromo-2-fluorophenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-amino-N-(4-bromo-2-fluorophenyl)pyridine-4-carboxamide is Nc1cc(C(=O)Nc2ccc(Br)cc2F)ccn1.
What is the InChIKey of 2-amino-N-(4-bromo-2-fluorophenyl)pyridine-4-carboxamide?
The InChIKey is VMTKYNJLZICAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrFN3O/c13-8-1-2-10(9(14)6-8)17-12(18)7-3-4-16-11(15)5-7/h1-6H,(H2,15,16)(H,17,18).
What are the key properties of 2-amino-N-(4-bromo-2-fluorophenyl)pyridine-4-carboxamide?
2-amino-N-(4-bromo-2-fluorophenyl)pyridine-4-carboxamide has a molecular weight of 310.13 g/mol, XLogP of 2.82, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-bromo-2-fluorophenyl)pyridine-4-carboxamide is sourced from PubChem (CID 62151121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).