4-chloro-1-methyl-2,6-naphthyridine

C9H7ClN2 — CID 177329446

IUPAC4-chloro-1-methyl-2,6-naphthyridine
SMILESCc1ncc(Cl)c2cnccc12
InChIInChI=1S/C9H7ClN2/c1-6-7-2-3-11-4-8(7)9(10)5-12-6/h2-5H,1H3
InChIKeyKSVDNKSXUJOHDV-UHFFFAOYSA-N
MW178.62 g/mol
LogP2.59
Rot. Bonds

About 4-chloro-1-methyl-2,6-naphthyridine

4-chloro-1-methyl-2,6-naphthyridine (PubChem CID 177329446) has the molecular formula C9H7ClN2 and a molecular weight of 178.62 g/mol. Its IUPAC name is 4-chloro-1-methyl-2,6-naphthyridine.

Molecular Properties

Compound Name4-chloro-1-methyl-2,6-naphthyridine
PubChem CID177329446
Molecular FormulaC9H7ClN2
Molecular Weight178.62 g/mol
Exact Mass178.03
IUPAC Name4-chloro-1-methyl-2,6-naphthyridine
SMILESCc1ncc(Cl)c2cnccc12
InChIInChI=1S/C9H7ClN2/c1-6-7-2-3-11-4-8(7)9(10)5-12-6/h2-5H,1H3
InChIKeyKSVDNKSXUJOHDV-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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methyl-2,6-naphthyridine?
The IUPAC name of 4-chloro-1-methyl-2,6-naphthyridine (CID 177329446) is 4-chloro-1-methyl-2,6-naphthyridine.
What is the SMILES notation for 4-chloro-1-methyl-2,6-naphthyridine?
The canonical SMILES for 4-chloro-1-methyl-2,6-naphthyridine is Cc1ncc(Cl)c2cnccc12.
What is the InChIKey of 4-chloro-1-methyl-2,6-naphthyridine?
The InChIKey is KSVDNKSXUJOHDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2/c1-6-7-2-3-11-4-8(7)9(10)5-12-6/h2-5H,1H3.
What are the key properties of 4-chloro-1-methyl-2,6-naphthyridine?
4-chloro-1-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 4-chloro-1-methyl-2,6-naphthyridine is sourced from PubChem (CID 177329446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).