2-(8-chloro-1,7-naphthyridin-3-yl)ethyl formate

C11H9ClN2O2 — CID 175010496

IUPAC2-(8-chloro-1,7-naphthyridin-3-yl)ethyl formate
SMILESO=COCCc1cnc2c(Cl)nccc2c1
InChIInChI=1S/C11H9ClN2O2/c12-11-10-9(1-3-13-11)5-8(6-14-10)2-4-16-7-15/h1,3,5-7H,2,4H2
InChIKeySGFKGNRKGFHHFW-UHFFFAOYSA-N
MW236.66 g/mol
LogP2.00
Rot. Bonds4

About 2-(8-chloro-1,7-naphthyridin-3-yl)ethyl formate

2-(8-chloro-1,7-naphthyridin-3-yl)ethyl formate (PubChem CID 175010496) has the molecular formula C11H9ClN2O2 and a molecular weight of 236.66 g/mol. Its IUPAC name is 2-(8-chloro-1,7-naphthyridin-3-yl)ethyl formate.

Molecular Properties

Compound Name2-(8-chloro-1,7-naphthyridin-3-yl)ethyl formate
PubChem CID175010496
Molecular FormulaC11H9ClN2O2
Molecular Weight236.66 g/mol
Exact Mass236.04
IUPAC Name2-(8-chloro-1,7-naphthyridin-3-yl)ethyl formate
SMILESO=COCCc1cnc2c(Cl)nccc2c1
InChIInChI=1S/C11H9ClN2O2/c12-11-10-9(1-3-13-11)5-8(6-14-10)2-4-16-7-15/h1,3,5-7H,2,4H2
InChIKeySGFKGNRKGFHHFW-UHFFFAOYSA-N
XLogP2.00
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.66
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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Related Compounds

(8-chloro-1,7-naphthyridin-3-yl)methyl formate
CID 175008159
2-[6-(chloromethyl)-3-pyridinyl]ethyl formate
CID 174703572
2-(4-chloro-2-pyridinyl)ethyl formate
CID 174481007
3-benzylsulfanyl-8-chloro-1,7-naphthyridine
CID 86687547
2-pyrimidin-2-ylethyl formate
CID 173035298
2-(4-amino-6-chloro-1,5-naphthyridin-3-yl)ethyl formate
CID 174812553
2-(4-bromo-8-chloroquinolin-3-yl)ethyl formate
CID 174583198
2-(4,6-dichloroquinolin-3-yl)ethyl formate
CID 174637327
isoquinolin-7-ylmethyl formate
CID 175541749
2-chloro-5-propylpyridine-3-carbaldehyde
CID 24976846
2-(4-chloro-8-propan-2-ylquinolin-3-yl)ethyl formate
CID 174643820
5-chloro-2-(2-pyridin-3-ylethoxy)benzaldehyde
CID 63262865

Frequently Asked Questions

What is the IUPAC name of 2-(8-chloro-1,7-naphthyridin-3-yl)ethyl formate?
The IUPAC name of 2-(8-chloro-1,7-naphthyridin-3-yl)ethyl formate (CID 175010496) is 2-(8-chloro-1,7-naphthyridin-3-yl)ethyl formate.
What is the SMILES notation for 2-(8-chloro-1,7-naphthyridin-3-yl)ethyl formate?
The canonical SMILES for 2-(8-chloro-1,7-naphthyridin-3-yl)ethyl formate is O=COCCc1cnc2c(Cl)nccc2c1.
What is the InChIKey of 2-(8-chloro-1,7-naphthyridin-3-yl)ethyl formate?
The InChIKey is SGFKGNRKGFHHFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O2/c12-11-10-9(1-3-13-11)5-8(6-14-10)2-4-16-7-15/h1,3,5-7H,2,4H2.
What are the key properties of 2-(8-chloro-1,7-naphthyridin-3-yl)ethyl formate?
2-(8-chloro-1,7-naphthyridin-3-yl)ethyl formate has a molecular weight of 236.66 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-chloro-1,7-naphthyridin-3-yl)ethyl formate is sourced from PubChem (CID 175010496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).