3-ethoxypyridine-2-carbonyl chloride

C8H8ClNO2 — CID 142800977

IUPAC3-ethoxypyridine-2-carbonyl chloride
SMILESCCOc1cccnc1C(=O)Cl
InChIInChI=1S/C8H8ClNO2/c1-2-12-6-4-3-5-10-7(6)8(9)11/h3-5H,2H2,1H3
InChIKeyDSVFMYUOKNCENN-UHFFFAOYSA-N
MW185.61 g/mol
LogP1.86
Rot. Bonds3

About 3-ethoxypyridine-2-carbonyl chloride

3-ethoxypyridine-2-carbonyl chloride (PubChem CID 142800977) has the molecular formula C8H8ClNO2 and a molecular weight of 185.61 g/mol. Its IUPAC name is 3-ethoxypyridine-2-carbonyl chloride.

Molecular Properties

Compound Name3-ethoxypyridine-2-carbonyl chloride
PubChem CID142800977
Molecular FormulaC8H8ClNO2
Molecular Weight185.61 g/mol
Exact Mass185.02
IUPAC Name3-ethoxypyridine-2-carbonyl chloride
SMILESCCOc1cccnc1C(=O)Cl
InChIInChI=1S/C8H8ClNO2/c1-2-12-6-4-3-5-10-7(6)8(9)11/h3-5H,2H2,1H3
InChIKeyDSVFMYUOKNCENN-UHFFFAOYSA-N
XLogP1.86
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.61
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-ethoxy-N-(2-ethyl-2-hydroxybutyl)pyridine-2-carboxamide
CID 111747151
ethyl 3-(cyclopropylmethoxy)pyridine-2-carboxylate
CID 133080995
N-(2-ethoxyphenyl)-3-hydroxypyridine-2-carboxamide
CID 54860891
3-chloropyridine-2-carbonyl chloride
CID 45081497
3-ethoxy-N-[4-(2-hydroxyethyl)phenyl]pyridine-2-carboxamide
CID 71968920
3-ethoxy-2-fluoropyridine
CID 11355527
(3-ethoxy-2-pyridinyl)-[4-(N-methylanilino)piperidin-1-yl]methanone
CID 71979487
ethane;3-ethoxy-2-fluoropyridine
CID 144753234
ethyl 3-aminopyridine-2-carboxylate
CID 565054
3-[2-(ethoxycarbonylamino)-2-oxoethoxy]pyridine-2-carboxylic acid
CID 61380447
(3-ethoxy-2-pyridinyl)-(4-phenylmethoxypiperidin-1-yl)methanone
CID 71863399
(3-ethoxy-2-pyridinyl)-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]methanone
CID 71979423

Frequently Asked Questions

What is the IUPAC name of 3-ethoxypyridine-2-carbonyl chloride?
The IUPAC name of 3-ethoxypyridine-2-carbonyl chloride (CID 142800977) is 3-ethoxypyridine-2-carbonyl chloride.
What is the SMILES notation for 3-ethoxypyridine-2-carbonyl chloride?
The canonical SMILES for 3-ethoxypyridine-2-carbonyl chloride is CCOc1cccnc1C(=O)Cl.
What is the InChIKey of 3-ethoxypyridine-2-carbonyl chloride?
The InChIKey is DSVFMYUOKNCENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO2/c1-2-12-6-4-3-5-10-7(6)8(9)11/h3-5H,2H2,1H3.
What are the key properties of 3-ethoxypyridine-2-carbonyl chloride?
3-ethoxypyridine-2-carbonyl chloride has a molecular weight of 185.61 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxypyridine-2-carbonyl chloride is sourced from PubChem (CID 142800977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).