2-[6-(chloromethyl)-3-pyridinyl]ethyl formate

C9H10ClNO2 — CID 174703572

IUPAC2-[6-(chloromethyl)-3-pyridinyl]ethyl formate
SMILESO=COCCc1ccc(CCl)nc1
InChIInChI=1S/C9H10ClNO2/c10-5-9-2-1-8(6-11-9)3-4-13-7-12/h1-2,6-7H,3-5H2
InChIKeyPFFISRNOXZZEGB-UHFFFAOYSA-N
MW199.64 g/mol
LogP1.54
Rot. Bonds5

About 2-[6-(chloromethyl)-3-pyridinyl]ethyl formate

2-[6-(chloromethyl)-3-pyridinyl]ethyl formate (PubChem CID 174703572) has the molecular formula C9H10ClNO2 and a molecular weight of 199.64 g/mol. Its IUPAC name is 2-[6-(chloromethyl)-3-pyridinyl]ethyl formate.

Molecular Properties

Compound Name2-[6-(chloromethyl)-3-pyridinyl]ethyl formate
PubChem CID174703572
Molecular FormulaC9H10ClNO2
Molecular Weight199.64 g/mol
Exact Mass199.04
IUPAC Name2-[6-(chloromethyl)-3-pyridinyl]ethyl formate
SMILESO=COCCc1ccc(CCl)nc1
InChIInChI=1S/C9H10ClNO2/c10-5-9-2-1-8(6-11-9)3-4-13-7-12/h1-2,6-7H,3-5H2
InChIKeyPFFISRNOXZZEGB-UHFFFAOYSA-N
XLogP1.54
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.64
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(8-chloro-1,7-naphthyridin-3-yl)ethyl formate
CID 175010496
2-(4-chloro-2-pyridinyl)ethyl formate
CID 174481007
2-pyrimidin-2-ylethyl formate
CID 173035298
2-(2H-triazol-4-yl)ethyl formate
CID 174708429
2-(chloromethyl)-5-[(4-chlorophenyl)methoxy]pyridine
CID 79800294
2-(chloromethyl)-5-iodopyridine
CID 58538531
2-(4-bromo-8-chloroquinolin-3-yl)ethyl formate
CID 174583198
2-(4-amino-6-chloro-1,5-naphthyridin-3-yl)ethyl formate
CID 174812553
2-[6-(2-sulfanylethyl)-3-pyridinyl]ethanethiol
CID 87203141
2-(3,4-dihydroisoquinolin-7-yl)ethyl formate
CID 174937677
2-(chloromethyl)-5-(3-methoxypropoxy)pyridine
CID 79799760
methyl 6-(chloromethyl)pyridine-3-carboxylate
CID 15331516

Frequently Asked Questions

What is the IUPAC name of 2-[6-(chloromethyl)-3-pyridinyl]ethyl formate?
The IUPAC name of 2-[6-(chloromethyl)-3-pyridinyl]ethyl formate (CID 174703572) is 2-[6-(chloromethyl)-3-pyridinyl]ethyl formate.
What is the SMILES notation for 2-[6-(chloromethyl)-3-pyridinyl]ethyl formate?
The canonical SMILES for 2-[6-(chloromethyl)-3-pyridinyl]ethyl formate is O=COCCc1ccc(CCl)nc1.
What is the InChIKey of 2-[6-(chloromethyl)-3-pyridinyl]ethyl formate?
The InChIKey is PFFISRNOXZZEGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO2/c10-5-9-2-1-8(6-11-9)3-4-13-7-12/h1-2,6-7H,3-5H2.
What are the key properties of 2-[6-(chloromethyl)-3-pyridinyl]ethyl formate?
2-[6-(chloromethyl)-3-pyridinyl]ethyl formate has a molecular weight of 199.64 g/mol, XLogP of 1.54, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(chloromethyl)-3-pyridinyl]ethyl formate is sourced from PubChem (CID 174703572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).