1-chloro-4,4a-dihydro-2,7-naphthyridine

C8H7ClN2 — CID 155274605

IUPAC1-chloro-4,4a-dihydro-2,7-naphthyridine
SMILESClC1=C2C=NC=CC2CC=N1
InChIInChI=1S/C8H7ClN2/c9-8-7-5-10-3-1-6(7)2-4-11-8/h1,3-6H,2H2
InChIKeyIAMYEPLLYPXAJB-UHFFFAOYSA-N
MW166.61 g/mol
LogP2.13
Rot. Bonds

About 1-chloro-4,4a-dihydro-2,7-naphthyridine

1-chloro-4,4a-dihydro-2,7-naphthyridine (PubChem CID 155274605) has the molecular formula C8H7ClN2 and a molecular weight of 166.61 g/mol. Its IUPAC name is 1-chloro-4,4a-dihydro-2,7-naphthyridine.

Molecular Properties

Compound Name1-chloro-4,4a-dihydro-2,7-naphthyridine
PubChem CID155274605
Molecular FormulaC8H7ClN2
Molecular Weight166.61 g/mol
Exact Mass166.03
IUPAC Name1-chloro-4,4a-dihydro-2,7-naphthyridine
SMILESClC1=C2C=NC=CC2CC=N1
InChIInChI=1S/C8H7ClN2/c9-8-7-5-10-3-1-6(7)2-4-11-8/h1,3-6H,2H2
InChIKeyIAMYEPLLYPXAJB-UHFFFAOYSA-N
XLogP2.13
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.61
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4,4a-dihydro-2,7-naphthyridine?
The IUPAC name of 1-chloro-4,4a-dihydro-2,7-naphthyridine (CID 155274605) is 1-chloro-4,4a-dihydro-2,7-naphthyridine.
What is the SMILES notation for 1-chloro-4,4a-dihydro-2,7-naphthyridine?
The canonical SMILES for 1-chloro-4,4a-dihydro-2,7-naphthyridine is ClC1=C2C=NC=CC2CC=N1.
What is the InChIKey of 1-chloro-4,4a-dihydro-2,7-naphthyridine?
The InChIKey is IAMYEPLLYPXAJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2/c9-8-7-5-10-3-1-6(7)2-4-11-8/h1,3-6H,2H2.
What are the key properties of 1-chloro-4,4a-dihydro-2,7-naphthyridine?
1-chloro-4,4a-dihydro-2,7-naphthyridine has a molecular weight of 166.61 g/mol, XLogP of 2.13, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4,4a-dihydro-2,7-naphthyridine is sourced from PubChem (CID 155274605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).