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

C8H6ClN3 — CID 71721041

IUPAC4-chloro-2,7-naphthyridin-1-amine
SMILESNc1ncc(Cl)c2ccncc12
InChIInChI=1S/C8H6ClN3/c9-7-4-12-8(10)6-3-11-2-1-5(6)7/h1-4H,(H2,10,12)
InChIKeyDXBGHKHEGDNEFO-UHFFFAOYSA-N
MW179.61 g/mol
LogP1.87
Rot. Bonds

About 4-chloro-2,7-naphthyridin-1-amine

4-chloro-2,7-naphthyridin-1-amine (PubChem CID 71721041) has the molecular formula C8H6ClN3 and a molecular weight of 179.61 g/mol. Its IUPAC name is 4-chloro-2,7-naphthyridin-1-amine.

Molecular Properties

Compound Name4-chloro-2,7-naphthyridin-1-amine
PubChem CID71721041
Molecular FormulaC8H6ClN3
Molecular Weight179.61 g/mol
Exact Mass179.03
IUPAC Name4-chloro-2,7-naphthyridin-1-amine
SMILESNc1ncc(Cl)c2ccncc12
InChIInChI=1S/C8H6ClN3/c9-7-4-12-8(10)6-3-11-2-1-5(6)7/h1-4H,(H2,10,12)
InChIKeyDXBGHKHEGDNEFO-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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,7-naphthyridin-1-amine?
The IUPAC name of 4-chloro-2,7-naphthyridin-1-amine (CID 71721041) is 4-chloro-2,7-naphthyridin-1-amine.
What is the SMILES notation for 4-chloro-2,7-naphthyridin-1-amine?
The canonical SMILES for 4-chloro-2,7-naphthyridin-1-amine is Nc1ncc(Cl)c2ccncc12.
What is the InChIKey of 4-chloro-2,7-naphthyridin-1-amine?
The InChIKey is DXBGHKHEGDNEFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClN3/c9-7-4-12-8(10)6-3-11-2-1-5(6)7/h1-4H,(H2,10,12).
What are the key properties of 4-chloro-2,7-naphthyridin-1-amine?
4-chloro-2,7-naphthyridin-1-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 4-chloro-2,7-naphthyridin-1-amine is sourced from PubChem (CID 71721041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).