5-amino-N-(2-bromo-5-fluorophenyl)pyridine-2-carboxamide

C12H9BrFN3O — CID 107624285

IUPAC5-amino-N-(2-bromo-5-fluorophenyl)pyridine-2-carboxamide
SMILESNc1ccc(C(=O)Nc2cc(F)ccc2Br)nc1
InChIInChI=1S/C12H9BrFN3O/c13-9-3-1-7(14)5-11(9)17-12(18)10-4-2-8(15)6-16-10/h1-6H,15H2,(H,17,18)
InChIKeyDDGMABKDSZVRQD-UHFFFAOYSA-N
MW310.13 g/mol
LogP2.82
Rot. Bonds2

About 5-amino-N-(2-bromo-5-fluorophenyl)pyridine-2-carboxamide

5-amino-N-(2-bromo-5-fluorophenyl)pyridine-2-carboxamide (PubChem CID 107624285) has the molecular formula C12H9BrFN3O and a molecular weight of 310.13 g/mol. Its IUPAC name is 5-amino-N-(2-bromo-5-fluorophenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-(2-bromo-5-fluorophenyl)pyridine-2-carboxamide
PubChem CID107624285
Molecular FormulaC12H9BrFN3O
Molecular Weight310.13 g/mol
Exact Mass308.99
IUPAC Name5-amino-N-(2-bromo-5-fluorophenyl)pyridine-2-carboxamide
SMILESNc1ccc(C(=O)Nc2cc(F)ccc2Br)nc1
InChIInChI=1S/C12H9BrFN3O/c13-9-3-1-7(14)5-11(9)17-12(18)10-4-2-8(15)6-16-10/h1-6H,15H2,(H,17,18)
InChIKeyDDGMABKDSZVRQD-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

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4-bromo-3-[(5-fluoropyridine-2-carbonyl)amino]benzoic acid
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6-bromo-N-(2-bromo-5-fluorophenyl)pyridine-3-carboxamide
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4-amino-N-(2-bromo-5-fluorophenyl)-1-propan-2-ylpyrrole-2-carboxamide
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N-(2-bromo-5-fluorophenyl)-1-methylimidazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-bromo-5-fluorophenyl)pyridine-2-carboxamide?
The IUPAC name of 5-amino-N-(2-bromo-5-fluorophenyl)pyridine-2-carboxamide (CID 107624285) is 5-amino-N-(2-bromo-5-fluorophenyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-amino-N-(2-bromo-5-fluorophenyl)pyridine-2-carboxamide?
The canonical SMILES for 5-amino-N-(2-bromo-5-fluorophenyl)pyridine-2-carboxamide is Nc1ccc(C(=O)Nc2cc(F)ccc2Br)nc1.
What is the InChIKey of 5-amino-N-(2-bromo-5-fluorophenyl)pyridine-2-carboxamide?
The InChIKey is DDGMABKDSZVRQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrFN3O/c13-9-3-1-7(14)5-11(9)17-12(18)10-4-2-8(15)6-16-10/h1-6H,15H2,(H,17,18).
What are the key properties of 5-amino-N-(2-bromo-5-fluorophenyl)pyridine-2-carboxamide?
5-amino-N-(2-bromo-5-fluorophenyl)pyridine-2-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 5-amino-N-(2-bromo-5-fluorophenyl)pyridine-2-carboxamide is sourced from PubChem (CID 107624285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).