2-butoxy-8-chloro-1,5-naphthyridine

C12H13ClN2O — CID 602071

IUPAC2-butoxy-8-chloro-1,5-naphthyridine
SMILESCCCCOc1ccc2nccc(Cl)c2n1
InChIInChI=1S/C12H13ClN2O/c1-2-3-8-16-11-5-4-10-12(15-11)9(13)6-7-14-10/h4-7H,2-3,8H2,1H3
InChIKeyZRGJXDDUIQLMGP-UHFFFAOYSA-N
MW236.70 g/mol
LogP3.46
Rot. Bonds4

About 2-butoxy-8-chloro-1,5-naphthyridine

2-butoxy-8-chloro-1,5-naphthyridine (PubChem CID 602071) has the molecular formula C12H13ClN2O and a molecular weight of 236.70 g/mol. Its IUPAC name is 2-butoxy-8-chloro-1,5-naphthyridine.

Molecular Properties

Compound Name2-butoxy-8-chloro-1,5-naphthyridine
PubChem CID602071
Molecular FormulaC12H13ClN2O
Molecular Weight236.70 g/mol
Exact Mass236.07
IUPAC Name2-butoxy-8-chloro-1,5-naphthyridine
SMILESCCCCOc1ccc2nccc(Cl)c2n1
InChIInChI=1S/C12H13ClN2O/c1-2-3-8-16-11-5-4-10-12(15-11)9(13)6-7-14-10/h4-7H,2-3,8H2,1H3
InChIKeyZRGJXDDUIQLMGP-UHFFFAOYSA-N
XLogP3.46
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.70
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-butoxy-8-chloro-1,5-naphthyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-chloro-2-ethoxy-1,5-naphthyridine
CID 602078
4-chloro-7-hexoxyquinoline
CID 78323998
2,6-dibutoxypyridine
CID 67437244
2-bromo-8-chloro-1,5-naphthyridine
CID 96880051
3-nonoxy-8-octoxy-4,7-phenanthroline
CID 21267382
3-decoxy-8-undecoxy-4,7-phenanthroline
CID 21267174
4-butoxy-N-ethylpyrimidin-2-amine
CID 80865329
3-butoxy-8-hexoxybenzo[f]quinoline
CID 21267338
3-heptoxy-8-hexoxybenzo[f]quinoline
CID 21267303
3-chloro-2-fluoro-6-propoxypyridine
CID 125116294
1-(3-chloro-6-octoxy-2-pyridinyl)-N-methylmethanamine
CID 55194459
4-(2-butoxyethoxy)pyrimidin-2-amine
CID 80861687

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-8-chloro-1,5-naphthyridine?
The IUPAC name of 2-butoxy-8-chloro-1,5-naphthyridine (CID 602071) is 2-butoxy-8-chloro-1,5-naphthyridine.
What is the SMILES notation for 2-butoxy-8-chloro-1,5-naphthyridine?
The canonical SMILES for 2-butoxy-8-chloro-1,5-naphthyridine is CCCCOc1ccc2nccc(Cl)c2n1.
What is the InChIKey of 2-butoxy-8-chloro-1,5-naphthyridine?
The InChIKey is ZRGJXDDUIQLMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O/c1-2-3-8-16-11-5-4-10-12(15-11)9(13)6-7-14-10/h4-7H,2-3,8H2,1H3.
What are the key properties of 2-butoxy-8-chloro-1,5-naphthyridine?
2-butoxy-8-chloro-1,5-naphthyridine has a molecular weight of 236.70 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-8-chloro-1,5-naphthyridine is sourced from PubChem (CID 602071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).