5-bromo-2-iminopyridine-1-carboxamide

C6H6BrN3O — CID 126715949

IUPAC5-bromo-2-iminopyridine-1-carboxamide
SMILES[H]/N=c1\ccc(Br)cn1C(N)=O
InChIInChI=1S/C6H6BrN3O/c7-4-1-2-5(8)10(3-4)6(9)11/h1-3,8H,(H2,9,11)/b8-5+
InChIKeyRQKDNSPBHFOVNS-VMPITWQZSA-N
MW216.04 g/mol
LogP0.66
Rot. Bonds

About 5-bromo-2-iminopyridine-1-carboxamide

5-bromo-2-iminopyridine-1-carboxamide (PubChem CID 126715949) has the molecular formula C6H6BrN3O and a molecular weight of 216.04 g/mol. Its IUPAC name is 5-bromo-2-iminopyridine-1-carboxamide.

Molecular Properties

Compound Name5-bromo-2-iminopyridine-1-carboxamide
PubChem CID126715949
Molecular FormulaC6H6BrN3O
Molecular Weight216.04 g/mol
Exact Mass214.97
IUPAC Name5-bromo-2-iminopyridine-1-carboxamide
SMILES[H]/N=c1\ccc(Br)cn1C(N)=O
InChIInChI=1S/C6H6BrN3O/c7-4-1-2-5(8)10(3-4)6(9)11/h1-3,8H,(H2,9,11)/b8-5+
InChIKeyRQKDNSPBHFOVNS-VMPITWQZSA-N
XLogP0.66
TPSA71.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.04
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-iminopyridine-1-carboxamide?
The IUPAC name of 5-bromo-2-iminopyridine-1-carboxamide (CID 126715949) is 5-bromo-2-iminopyridine-1-carboxamide.
What is the SMILES notation for 5-bromo-2-iminopyridine-1-carboxamide?
The canonical SMILES for 5-bromo-2-iminopyridine-1-carboxamide is [H]/N=c1\ccc(Br)cn1C(N)=O.
What is the InChIKey of 5-bromo-2-iminopyridine-1-carboxamide?
The InChIKey is RQKDNSPBHFOVNS-VMPITWQZSA-N. The full InChI is InChI=1S/C6H6BrN3O/c7-4-1-2-5(8)10(3-4)6(9)11/h1-3,8H,(H2,9,11)/b8-5+.
What are the key properties of 5-bromo-2-iminopyridine-1-carboxamide?
5-bromo-2-iminopyridine-1-carboxamide has a molecular weight of 216.04 g/mol, XLogP of 0.66, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-iminopyridine-1-carboxamide is sourced from PubChem (CID 126715949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).