5-bromo-N-(1H-imidazol-2-ylmethyl)pyridin-3-amine

C9H9BrN4 — CID 91636111

IUPAC5-bromo-N-(1H-imidazol-2-ylmethyl)pyridin-3-amine
SMILESBrc1cncc(NCc2ncc[nH]2)c1
InChIInChI=1S/C9H9BrN4/c10-7-3-8(5-11-4-7)14-6-9-12-1-2-13-9/h1-5,14H,6H2,(H,12,13)
InChIKeyKUSUXQJDCGCYKW-UHFFFAOYSA-N
MW253.10 g/mol
LogP2.18
Rot. Bonds3

About 5-bromo-N-(1H-imidazol-2-ylmethyl)pyridin-3-amine

5-bromo-N-(1H-imidazol-2-ylmethyl)pyridin-3-amine (PubChem CID 91636111) has the molecular formula C9H9BrN4 and a molecular weight of 253.10 g/mol. Its IUPAC name is 5-bromo-N-(1H-imidazol-2-ylmethyl)pyridin-3-amine.

Molecular Properties

Compound Name5-bromo-N-(1H-imidazol-2-ylmethyl)pyridin-3-amine
PubChem CID91636111
Molecular FormulaC9H9BrN4
Molecular Weight253.10 g/mol
Exact Mass252.00
IUPAC Name5-bromo-N-(1H-imidazol-2-ylmethyl)pyridin-3-amine
SMILESBrc1cncc(NCc2ncc[nH]2)c1
InChIInChI=1S/C9H9BrN4/c10-7-3-8(5-11-4-7)14-6-9-12-1-2-13-9/h1-5,14H,6H2,(H,12,13)
InChIKeyKUSUXQJDCGCYKW-UHFFFAOYSA-N
XLogP2.18
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.10
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1H-imidazol-2-ylmethyl)pyridin-3-amine?
The IUPAC name of 5-bromo-N-(1H-imidazol-2-ylmethyl)pyridin-3-amine (CID 91636111) is 5-bromo-N-(1H-imidazol-2-ylmethyl)pyridin-3-amine.
What is the SMILES notation for 5-bromo-N-(1H-imidazol-2-ylmethyl)pyridin-3-amine?
The canonical SMILES for 5-bromo-N-(1H-imidazol-2-ylmethyl)pyridin-3-amine is Brc1cncc(NCc2ncc[nH]2)c1.
What is the InChIKey of 5-bromo-N-(1H-imidazol-2-ylmethyl)pyridin-3-amine?
The InChIKey is KUSUXQJDCGCYKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN4/c10-7-3-8(5-11-4-7)14-6-9-12-1-2-13-9/h1-5,14H,6H2,(H,12,13).
What are the key properties of 5-bromo-N-(1H-imidazol-2-ylmethyl)pyridin-3-amine?
5-bromo-N-(1H-imidazol-2-ylmethyl)pyridin-3-amine has a molecular weight of 253.10 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1H-imidazol-2-ylmethyl)pyridin-3-amine is sourced from PubChem (CID 91636111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).