3-(chloromethyl)pyridine-4-carbonyl chloride

C7H5Cl2NO — CID 142681403

IUPAC3-(chloromethyl)pyridine-4-carbonyl chloride
SMILESO=C(Cl)c1ccncc1CCl
InChIInChI=1S/C7H5Cl2NO/c8-3-5-4-10-2-1-6(5)7(9)11/h1-2,4H,3H2
InChIKeyGNJJUZVXDPLFQD-UHFFFAOYSA-N
MW190.03 g/mol
LogP2.20
Rot. Bonds2

About 3-(chloromethyl)pyridine-4-carbonyl chloride

3-(chloromethyl)pyridine-4-carbonyl chloride (PubChem CID 142681403) has the molecular formula C7H5Cl2NO and a molecular weight of 190.03 g/mol. Its IUPAC name is 3-(chloromethyl)pyridine-4-carbonyl chloride.

Molecular Properties

Compound Name3-(chloromethyl)pyridine-4-carbonyl chloride
PubChem CID142681403
Molecular FormulaC7H5Cl2NO
Molecular Weight190.03 g/mol
Exact Mass188.97
IUPAC Name3-(chloromethyl)pyridine-4-carbonyl chloride
SMILESO=C(Cl)c1ccncc1CCl
InChIInChI=1S/C7H5Cl2NO/c8-3-5-4-10-2-1-6(5)7(9)11/h1-2,4H,3H2
InChIKeyGNJJUZVXDPLFQD-UHFFFAOYSA-N
XLogP2.20
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.03
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(chloromethyl)pyridine-3-carbonyl chloride
CID 10965291
1-[4-(chloromethyl)-3-pyridinyl]ethanone;hydrochloride
CID 131874634
4-methylpyridine-3-carbonyl chloride
CID 22386188
1-(3-ethyl-4-pyridinyl)ethanone
CID 14863277
3-(hydroxymethyl)pyridine-4-carboxylic acid
CID 12758257
methyl 3-carbonochloridoylpyridine-4-carboxylate;hydrochloride
CID 88617430
3-(2,2,2-trichloroethyl)pyridine-4-carboxylic acid
CID 56979701
3-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl chloride
CID 87259286
3-(trifluoromethoxy)pyridine-4-carbonyl chloride
CID 130088891
3-ethyl-N-methylpyridine-4-carboxamide
CID 130718112
methanol;methyl 3-(trifluoromethyl)pyridine-4-carboxylate;3-(trifluoromethyl)pyridine-4-carbonyl chloride
CID 158055243
3-(chloromethyl)-N-methyl-N-propan-2-ylpyridin-4-amine
CID 81237062

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)pyridine-4-carbonyl chloride?
The IUPAC name of 3-(chloromethyl)pyridine-4-carbonyl chloride (CID 142681403) is 3-(chloromethyl)pyridine-4-carbonyl chloride.
What is the SMILES notation for 3-(chloromethyl)pyridine-4-carbonyl chloride?
The canonical SMILES for 3-(chloromethyl)pyridine-4-carbonyl chloride is O=C(Cl)c1ccncc1CCl.
What is the InChIKey of 3-(chloromethyl)pyridine-4-carbonyl chloride?
The InChIKey is GNJJUZVXDPLFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl2NO/c8-3-5-4-10-2-1-6(5)7(9)11/h1-2,4H,3H2.
What are the key properties of 3-(chloromethyl)pyridine-4-carbonyl chloride?
3-(chloromethyl)pyridine-4-carbonyl chloride has a molecular weight of 190.03 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)pyridine-4-carbonyl chloride is sourced from PubChem (CID 142681403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).