2-chloro-1,6-naphthyridin-7-amine

C8H6ClN3 — CID 138605042

IUPAC2-chloro-1,6-naphthyridin-7-amine
SMILESNc1cc2nc(Cl)ccc2cn1
InChIInChI=1S/C8H6ClN3/c9-7-2-1-5-4-11-8(10)3-6(5)12-7/h1-4H,(H2,10,11)
InChIKeyOQCPFKPBNKWVPU-UHFFFAOYSA-N
MW179.61 g/mol
LogP1.87
Rot. Bonds

About 2-chloro-1,6-naphthyridin-7-amine

2-chloro-1,6-naphthyridin-7-amine (PubChem CID 138605042) has the molecular formula C8H6ClN3 and a molecular weight of 179.61 g/mol. Its IUPAC name is 2-chloro-1,6-naphthyridin-7-amine.

Molecular Properties

Compound Name2-chloro-1,6-naphthyridin-7-amine
PubChem CID138605042
Molecular FormulaC8H6ClN3
Molecular Weight179.61 g/mol
Exact Mass179.03
IUPAC Name2-chloro-1,6-naphthyridin-7-amine
SMILESNc1cc2nc(Cl)ccc2cn1
InChIInChI=1S/C8H6ClN3/c9-7-2-1-5-4-11-8(10)3-6(5)12-7/h1-4H,(H2,10,11)
InChIKeyOQCPFKPBNKWVPU-UHFFFAOYSA-N
XLogP1.87
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.61
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,6-dichloro-1,7-naphthyridine
CID 15592374
7-chloroquinazolin-2-amine
CID 10678921
2,6-naphthyridine-3,7-diamine
CID 141099373
2-bromo-7-chloro-1,6-naphthyridine
CID 138754733
2-chloroquinolin-7-ol
CID 135427710
3-phenyl-1,6-naphthyridine-2,7-diamine
CID 5328990
2-chloropyrido[2,3-d]pyrimidin-7-amine
CID 84718433
7-methylisoquinolin-3-amine
CID 122198375
(Z)-2-(6-chloro-1,5-naphthyridin-3-yl)prop-1-ene-1,3-diamine
CID 90288781
7-bromo-2-chloroquinoline;2-methylpropan-2-amine
CID 135311981
2-aminoquinazolin-7-ol
CID 141030840
5,7-dichloroisoquinolin-3-amine
CID 53418201

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1,6-naphthyridin-7-amine?
The IUPAC name of 2-chloro-1,6-naphthyridin-7-amine (CID 138605042) is 2-chloro-1,6-naphthyridin-7-amine.
What is the SMILES notation for 2-chloro-1,6-naphthyridin-7-amine?
The canonical SMILES for 2-chloro-1,6-naphthyridin-7-amine is Nc1cc2nc(Cl)ccc2cn1.
What is the InChIKey of 2-chloro-1,6-naphthyridin-7-amine?
The InChIKey is OQCPFKPBNKWVPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClN3/c9-7-2-1-5-4-11-8(10)3-6(5)12-7/h1-4H,(H2,10,11).
What are the key properties of 2-chloro-1,6-naphthyridin-7-amine?
2-chloro-1,6-naphthyridin-7-amine has a molecular weight of 179.61 g/mol, XLogP of 1.87, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1,6-naphthyridin-7-amine is sourced from PubChem (CID 138605042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).