2-chloro-1,8-naphthyridine

C8H5ClN2 — CID 5152838

IUPAC2-chloro-1,8-naphthyridine
SMILESClc1ccc2cccnc2n1
InChIInChI=1S/C8H5ClN2/c9-7-4-3-6-2-1-5-10-8(6)11-7/h1-5H
InChIKeyHTIZLJISEUYGSA-UHFFFAOYSA-N
MW164.59 g/mol
LogP2.28
Rot. Bonds

About 2-chloro-1,8-naphthyridine

2-chloro-1,8-naphthyridine (PubChem CID 5152838) has the molecular formula C8H5ClN2 and a molecular weight of 164.59 g/mol. Its IUPAC name is 2-chloro-1,8-naphthyridine.

Molecular Properties

Compound Name2-chloro-1,8-naphthyridine
PubChem CID5152838
Molecular FormulaC8H5ClN2
Molecular Weight164.59 g/mol
Exact Mass164.01
IUPAC Name2-chloro-1,8-naphthyridine
SMILESClc1ccc2cccnc2n1
InChIInChI=1S/C8H5ClN2/c9-7-4-3-6-2-1-5-10-8(6)11-7/h1-5H
InChIKeyHTIZLJISEUYGSA-UHFFFAOYSA-N
XLogP2.28
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.59
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-chloro-1,8-naphthyridine?
The IUPAC name of 2-chloro-1,8-naphthyridine (CID 5152838) is 2-chloro-1,8-naphthyridine.
What is the SMILES notation for 2-chloro-1,8-naphthyridine?
The canonical SMILES for 2-chloro-1,8-naphthyridine is Clc1ccc2cccnc2n1.
What is the InChIKey of 2-chloro-1,8-naphthyridine?
The InChIKey is HTIZLJISEUYGSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClN2/c9-7-4-3-6-2-1-5-10-8(6)11-7/h1-5H.
What are the key properties of 2-chloro-1,8-naphthyridine?
2-chloro-1,8-naphthyridine has a molecular weight of 164.59 g/mol, XLogP of 2.28, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1,8-naphthyridine is sourced from PubChem (CID 5152838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).