2-chloro-6-(2-cyclopropyloxyethyl)-7,8-dihydro-5H-1,6-naphthyridine

C13H17ClN2O — CID 166294019

IUPAC2-chloro-6-(2-cyclopropyloxyethyl)-7,8-dihydro-5H-1,6-naphthyridine
SMILESClc1ccc2c(n1)CCN(CCOC1CC1)C2
InChIInChI=1S/C13H17ClN2O/c14-13-4-1-10-9-16(6-5-12(10)15-13)7-8-17-11-2-3-11/h1,4,11H,2-3,5-9H2
InChIKeyRGJMKZUZAKJOOY-UHFFFAOYSA-N
MW252.74 g/mol
LogP2.27
Rot. Bonds4

About 2-chloro-6-(2-cyclopropyloxyethyl)-7,8-dihydro-5H-1,6-naphthyridine

2-chloro-6-(2-cyclopropyloxyethyl)-7,8-dihydro-5H-1,6-naphthyridine (PubChem CID 166294019) has the molecular formula C13H17ClN2O and a molecular weight of 252.74 g/mol. Its IUPAC name is 2-chloro-6-(2-cyclopropyloxyethyl)-7,8-dihydro-5H-1,6-naphthyridine.

Molecular Properties

Compound Name2-chloro-6-(2-cyclopropyloxyethyl)-7,8-dihydro-5H-1,6-naphthyridine
PubChem CID166294019
Molecular FormulaC13H17ClN2O
Molecular Weight252.74 g/mol
Exact Mass252.10
IUPAC Name2-chloro-6-(2-cyclopropyloxyethyl)-7,8-dihydro-5H-1,6-naphthyridine
SMILESClc1ccc2c(n1)CCN(CCOC1CC1)C2
InChIInChI=1S/C13H17ClN2O/c14-13-4-1-10-9-16(6-5-12(10)15-13)7-8-17-11-2-3-11/h1,4,11H,2-3,5-9H2
InChIKeyRGJMKZUZAKJOOY-UHFFFAOYSA-N
XLogP2.27
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-6-(2-cyclopropyloxyethyl)-7,8-dihydro-5H-1,6-naphthyridine?
The IUPAC name of 2-chloro-6-(2-cyclopropyloxyethyl)-7,8-dihydro-5H-1,6-naphthyridine (CID 166294019) is 2-chloro-6-(2-cyclopropyloxyethyl)-7,8-dihydro-5H-1,6-naphthyridine.
What is the SMILES notation for 2-chloro-6-(2-cyclopropyloxyethyl)-7,8-dihydro-5H-1,6-naphthyridine?
The canonical SMILES for 2-chloro-6-(2-cyclopropyloxyethyl)-7,8-dihydro-5H-1,6-naphthyridine is Clc1ccc2c(n1)CCN(CCOC1CC1)C2.
What is the InChIKey of 2-chloro-6-(2-cyclopropyloxyethyl)-7,8-dihydro-5H-1,6-naphthyridine?
The InChIKey is RGJMKZUZAKJOOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O/c14-13-4-1-10-9-16(6-5-12(10)15-13)7-8-17-11-2-3-11/h1,4,11H,2-3,5-9H2.
What are the key properties of 2-chloro-6-(2-cyclopropyloxyethyl)-7,8-dihydro-5H-1,6-naphthyridine?
2-chloro-6-(2-cyclopropyloxyethyl)-7,8-dihydro-5H-1,6-naphthyridine has a molecular weight of 252.74 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(2-cyclopropyloxyethyl)-7,8-dihydro-5H-1,6-naphthyridine is sourced from PubChem (CID 166294019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).