3-chloro-7-methyl-2,6-naphthyridine

C9H7ClN2 — CID 163219656

IUPAC3-chloro-7-methyl-2,6-naphthyridine
SMILESCc1cc2cnc(Cl)cc2cn1
InChIInChI=1S/C9H7ClN2/c1-6-2-7-5-12-9(10)3-8(7)4-11-6/h2-5H,1H3
InChIKeyYUMYHXXRMKQWSO-UHFFFAOYSA-N
MW178.62 g/mol
LogP2.59
Rot. Bonds

About 3-chloro-7-methyl-2,6-naphthyridine

3-chloro-7-methyl-2,6-naphthyridine (PubChem CID 163219656) has the molecular formula C9H7ClN2 and a molecular weight of 178.62 g/mol. Its IUPAC name is 3-chloro-7-methyl-2,6-naphthyridine.

Molecular Properties

Compound Name3-chloro-7-methyl-2,6-naphthyridine
PubChem CID163219656
Molecular FormulaC9H7ClN2
Molecular Weight178.62 g/mol
Exact Mass178.03
IUPAC Name3-chloro-7-methyl-2,6-naphthyridine
SMILESCc1cc2cnc(Cl)cc2cn1
InChIInChI=1S/C9H7ClN2/c1-6-2-7-5-12-9(10)3-8(7)4-11-6/h2-5H,1H3
InChIKeyYUMYHXXRMKQWSO-UHFFFAOYSA-N
XLogP2.59
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.62
LogP ≤ 52.59
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 3-chloro-7-methyl-2,6-naphthyridine?
The IUPAC name of 3-chloro-7-methyl-2,6-naphthyridine (CID 163219656) is 3-chloro-7-methyl-2,6-naphthyridine.
What is the SMILES notation for 3-chloro-7-methyl-2,6-naphthyridine?
The canonical SMILES for 3-chloro-7-methyl-2,6-naphthyridine is Cc1cc2cnc(Cl)cc2cn1.
What is the InChIKey of 3-chloro-7-methyl-2,6-naphthyridine?
The InChIKey is YUMYHXXRMKQWSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2/c1-6-2-7-5-12-9(10)3-8(7)4-11-6/h2-5H,1H3.
What are the key properties of 3-chloro-7-methyl-2,6-naphthyridine?
3-chloro-7-methyl-2,6-naphthyridine has a molecular weight of 178.62 g/mol, XLogP of 2.59, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-7-methyl-2,6-naphthyridine is sourced from PubChem (CID 163219656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).