2-(4-amino-6-chloro-1,5-naphthyridin-3-yl)ethyl formate

C11H10ClN3O2 — CID 174812553

IUPAC2-(4-amino-6-chloro-1,5-naphthyridin-3-yl)ethyl formate
SMILESNc1c(CCOC=O)cnc2ccc(Cl)nc12
InChIInChI=1S/C11H10ClN3O2/c12-9-2-1-8-11(15-9)10(13)7(5-14-8)3-4-17-6-16/h1-2,5-6H,3-4H2,(H2,13,14)
InChIKeyCSYTZDSFBMZLQY-UHFFFAOYSA-N
MW251.67 g/mol
LogP1.58
Rot. Bonds4

About 2-(4-amino-6-chloro-1,5-naphthyridin-3-yl)ethyl formate

2-(4-amino-6-chloro-1,5-naphthyridin-3-yl)ethyl formate (PubChem CID 174812553) has the molecular formula C11H10ClN3O2 and a molecular weight of 251.67 g/mol. Its IUPAC name is 2-(4-amino-6-chloro-1,5-naphthyridin-3-yl)ethyl formate.

Molecular Properties

Compound Name2-(4-amino-6-chloro-1,5-naphthyridin-3-yl)ethyl formate
PubChem CID174812553
Molecular FormulaC11H10ClN3O2
Molecular Weight251.67 g/mol
Exact Mass251.05
IUPAC Name2-(4-amino-6-chloro-1,5-naphthyridin-3-yl)ethyl formate
SMILESNc1c(CCOC=O)cnc2ccc(Cl)nc12
InChIInChI=1S/C11H10ClN3O2/c12-9-2-1-8-11(15-9)10(13)7(5-14-8)3-4-17-6-16/h1-2,5-6H,3-4H2,(H2,13,14)
InChIKeyCSYTZDSFBMZLQY-UHFFFAOYSA-N
XLogP1.58
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.67
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-6-chloro-1,5-naphthyridin-3-yl)ethyl formate?
The IUPAC name of 2-(4-amino-6-chloro-1,5-naphthyridin-3-yl)ethyl formate (CID 174812553) is 2-(4-amino-6-chloro-1,5-naphthyridin-3-yl)ethyl formate.
What is the SMILES notation for 2-(4-amino-6-chloro-1,5-naphthyridin-3-yl)ethyl formate?
The canonical SMILES for 2-(4-amino-6-chloro-1,5-naphthyridin-3-yl)ethyl formate is Nc1c(CCOC=O)cnc2ccc(Cl)nc12.
What is the InChIKey of 2-(4-amino-6-chloro-1,5-naphthyridin-3-yl)ethyl formate?
The InChIKey is CSYTZDSFBMZLQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O2/c12-9-2-1-8-11(15-9)10(13)7(5-14-8)3-4-17-6-16/h1-2,5-6H,3-4H2,(H2,13,14).
What are the key properties of 2-(4-amino-6-chloro-1,5-naphthyridin-3-yl)ethyl formate?
2-(4-amino-6-chloro-1,5-naphthyridin-3-yl)ethyl formate has a molecular weight of 251.67 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-6-chloro-1,5-naphthyridin-3-yl)ethyl formate is sourced from PubChem (CID 174812553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).