2-bromopyridine-4-carboxamide

C6H5BrN2O — CID 4625407

IUPAC2-bromopyridine-4-carboxamide
SMILESNC(=O)c1ccnc(Br)c1
InChIInChI=1S/C6H5BrN2O/c7-5-3-4(6(8)10)1-2-9-5/h1-3H,(H2,8,10)
InChIKeyKCELTDZFDHPTBI-UHFFFAOYSA-N
MW201.02 g/mol
LogP0.94
Rot. Bonds1

About 2-bromopyridine-4-carboxamide

2-bromopyridine-4-carboxamide (PubChem CID 4625407) has the molecular formula C6H5BrN2O and a molecular weight of 201.02 g/mol. Its IUPAC name is 2-bromopyridine-4-carboxamide.

Molecular Properties

Compound Name2-bromopyridine-4-carboxamide
PubChem CID4625407
Molecular FormulaC6H5BrN2O
Molecular Weight201.02 g/mol
Exact Mass199.96
IUPAC Name2-bromopyridine-4-carboxamide
SMILESNC(=O)c1ccnc(Br)c1
InChIInChI=1S/C6H5BrN2O/c7-5-3-4(6(8)10)1-2-9-5/h1-3H,(H2,8,10)
InChIKeyKCELTDZFDHPTBI-UHFFFAOYSA-N
XLogP0.94
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.02
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromopyridine-4-carboxamide?
The IUPAC name of 2-bromopyridine-4-carboxamide (CID 4625407) is 2-bromopyridine-4-carboxamide.
What is the SMILES notation for 2-bromopyridine-4-carboxamide?
The canonical SMILES for 2-bromopyridine-4-carboxamide is NC(=O)c1ccnc(Br)c1.
What is the InChIKey of 2-bromopyridine-4-carboxamide?
The InChIKey is KCELTDZFDHPTBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrN2O/c7-5-3-4(6(8)10)1-2-9-5/h1-3H,(H2,8,10).
What are the key properties of 2-bromopyridine-4-carboxamide?
2-bromopyridine-4-carboxamide has a molecular weight of 201.02 g/mol, XLogP of 0.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromopyridine-4-carboxamide is sourced from PubChem (CID 4625407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).