2-bromo-N,N-dimethyl-1,8-naphthyridin-3-amine

C10H10BrN3 — CID 151032201

IUPAC2-bromo-N,N-dimethyl-1,8-naphthyridin-3-amine
SMILESCN(C)c1cc2cccnc2nc1Br
InChIInChI=1S/C10H10BrN3/c1-14(2)8-6-7-4-3-5-12-10(7)13-9(8)11/h3-6H,1-2H3
InChIKeyMAHNXGSEWWJVFC-UHFFFAOYSA-N
MW252.12 g/mol
LogP2.46
Rot. Bonds1

About 2-bromo-N,N-dimethyl-1,8-naphthyridin-3-amine

2-bromo-N,N-dimethyl-1,8-naphthyridin-3-amine (PubChem CID 151032201) has the molecular formula C10H10BrN3 and a molecular weight of 252.12 g/mol. Its IUPAC name is 2-bromo-N,N-dimethyl-1,8-naphthyridin-3-amine.

Molecular Properties

Compound Name2-bromo-N,N-dimethyl-1,8-naphthyridin-3-amine
PubChem CID151032201
Molecular FormulaC10H10BrN3
Molecular Weight252.12 g/mol
Exact Mass251.01
IUPAC Name2-bromo-N,N-dimethyl-1,8-naphthyridin-3-amine
SMILESCN(C)c1cc2cccnc2nc1Br
InChIInChI=1S/C10H10BrN3/c1-14(2)8-6-7-4-3-5-12-10(7)13-9(8)11/h3-6H,1-2H3
InChIKeyMAHNXGSEWWJVFC-UHFFFAOYSA-N
XLogP2.46
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.12
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-bromo-N,N-dimethyl-1,8-naphthyridin-3-amine?
The IUPAC name of 2-bromo-N,N-dimethyl-1,8-naphthyridin-3-amine (CID 151032201) is 2-bromo-N,N-dimethyl-1,8-naphthyridin-3-amine.
What is the SMILES notation for 2-bromo-N,N-dimethyl-1,8-naphthyridin-3-amine?
The canonical SMILES for 2-bromo-N,N-dimethyl-1,8-naphthyridin-3-amine is CN(C)c1cc2cccnc2nc1Br.
What is the InChIKey of 2-bromo-N,N-dimethyl-1,8-naphthyridin-3-amine?
The InChIKey is MAHNXGSEWWJVFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3/c1-14(2)8-6-7-4-3-5-12-10(7)13-9(8)11/h3-6H,1-2H3.
What are the key properties of 2-bromo-N,N-dimethyl-1,8-naphthyridin-3-amine?
2-bromo-N,N-dimethyl-1,8-naphthyridin-3-amine has a molecular weight of 252.12 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N,N-dimethyl-1,8-naphthyridin-3-amine is sourced from PubChem (CID 151032201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).