2-ethylpyridine-4-carbonyl chloride

C8H8ClNO — CID 45081393

IUPAC2-ethylpyridine-4-carbonyl chloride
SMILESCCc1cc(C(=O)Cl)ccn1
InChIInChI=1S/C8H8ClNO/c1-2-7-5-6(8(9)11)3-4-10-7/h3-5H,2H2,1H3
InChIKeyVWGIMYFFWYXFBJ-UHFFFAOYSA-N
MW169.61 g/mol
LogP2.02
Rot. Bonds2

About 2-ethylpyridine-4-carbonyl chloride

2-ethylpyridine-4-carbonyl chloride (PubChem CID 45081393) has the molecular formula C8H8ClNO and a molecular weight of 169.61 g/mol. Its IUPAC name is 2-ethylpyridine-4-carbonyl chloride.

Molecular Properties

Compound Name2-ethylpyridine-4-carbonyl chloride
PubChem CID45081393
Molecular FormulaC8H8ClNO
Molecular Weight169.61 g/mol
Exact Mass169.03
IUPAC Name2-ethylpyridine-4-carbonyl chloride
SMILESCCc1cc(C(=O)Cl)ccn1
InChIInChI=1S/C8H8ClNO/c1-2-7-5-6(8(9)11)3-4-10-7/h3-5H,2H2,1H3
InChIKeyVWGIMYFFWYXFBJ-UHFFFAOYSA-N
XLogP2.02
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.61
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;methyl 2-ethylpyridine-4-carboxylate
CID 144656237
2-tetradecylpyridine-4-carbonyl chloride
CID 154124340
(2-ethyl-4-pyridinyl)-sulfinylmethanamine
CID 71316501
4-carbonochloridoylpyridine-2-carboxylic acid
CID 156640763
[(1R,3S)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]-(2-ethyl-4-pyridinyl)methanone
CID 70714072
ethane;2-ethylpyridine-4-carboxylic acid;5-fluoro-6-methylpyridine-3-carboxylic acid
CID 145419435
N'-(benzenesulfonyl)-2-ethylpyridine-4-carbohydrazide
CID 165352501
3-(2-ethyl-4-pyridinyl)prop-2-ynoic acid
CID 131092055
2-ethyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridine-4-carboxamide
CID 90650191
2-(chloromethyl)pyridine-4-carboxamide
CID 22993396
2-ethylpyridin-4-amine
CID 12015366
ethane;2-ethyl-4-propan-2-ylpyridine;sulfanol
CID 165130661

Frequently Asked Questions

What is the IUPAC name of 2-ethylpyridine-4-carbonyl chloride?
The IUPAC name of 2-ethylpyridine-4-carbonyl chloride (CID 45081393) is 2-ethylpyridine-4-carbonyl chloride.
What is the SMILES notation for 2-ethylpyridine-4-carbonyl chloride?
The canonical SMILES for 2-ethylpyridine-4-carbonyl chloride is CCc1cc(C(=O)Cl)ccn1.
What is the InChIKey of 2-ethylpyridine-4-carbonyl chloride?
The InChIKey is VWGIMYFFWYXFBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO/c1-2-7-5-6(8(9)11)3-4-10-7/h3-5H,2H2,1H3.
What are the key properties of 2-ethylpyridine-4-carbonyl chloride?
2-ethylpyridine-4-carbonyl chloride has a molecular weight of 169.61 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylpyridine-4-carbonyl chloride is sourced from PubChem (CID 45081393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).