4-(chloromethyl)pyridine-3-carbonyl chloride

C7H5Cl2NO — CID 10965291

IUPAC4-(chloromethyl)pyridine-3-carbonyl chloride
SMILESO=C(Cl)c1cnccc1CCl
InChIInChI=1S/C7H5Cl2NO/c8-3-5-1-2-10-4-6(5)7(9)11/h1-2,4H,3H2
InChIKeyDMRRQFILTAIPIV-UHFFFAOYSA-N
MW190.03 g/mol
LogP2.20
Rot. Bonds2

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

4-(chloromethyl)pyridine-3-carbonyl chloride (PubChem CID 10965291) has the molecular formula C7H5Cl2NO and a molecular weight of 190.03 g/mol. Its IUPAC name is 4-(chloromethyl)pyridine-3-carbonyl chloride.

Molecular Properties

Compound Name4-(chloromethyl)pyridine-3-carbonyl chloride
PubChem CID10965291
Molecular FormulaC7H5Cl2NO
Molecular Weight190.03 g/mol
Exact Mass188.97
IUPAC Name4-(chloromethyl)pyridine-3-carbonyl chloride
SMILESO=C(Cl)c1cnccc1CCl
InChIInChI=1S/C7H5Cl2NO/c8-3-5-1-2-10-4-6(5)7(9)11/h1-2,4H,3H2
InChIKeyDMRRQFILTAIPIV-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

3-(chloromethyl)pyridine-4-carbonyl chloride
CID 142681403
1-[4-(chloromethyl)-3-pyridinyl]ethanone;hydrochloride
CID 131874634
4-methylpyridine-3-carbonyl chloride
CID 22386188
methyl 3-carbonochloridoylpyridine-4-carboxylate;hydrochloride
CID 88617430
4-(aminomethyl)pyridine-3-carboxamide
CID 123566615
4-propylpyridine-3-carboxylic acid
CID 21413297
4-(2-iodoethyl)pyridine-3-carboxylic acid
CID 174800330
4-(chloromethyl)-N,N-dimethylpyridin-3-amine
CID 105067273
potassium 4-(2-hydroxyethyl)pyridine-3-carboxylate
CID 142681669
3-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl chloride
CID 87259286
3-(trifluoromethoxy)pyridine-4-carbonyl chloride
CID 130088891
4-chloro-5-(cyanomethyl)pyridine-3-carbonyl chloride
CID 87727762

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)pyridine-3-carbonyl chloride?
The IUPAC name of 4-(chloromethyl)pyridine-3-carbonyl chloride (CID 10965291) is 4-(chloromethyl)pyridine-3-carbonyl chloride.
What is the SMILES notation for 4-(chloromethyl)pyridine-3-carbonyl chloride?
The canonical SMILES for 4-(chloromethyl)pyridine-3-carbonyl chloride is O=C(Cl)c1cnccc1CCl.
What is the InChIKey of 4-(chloromethyl)pyridine-3-carbonyl chloride?
The InChIKey is DMRRQFILTAIPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl2NO/c8-3-5-1-2-10-4-6(5)7(9)11/h1-2,4H,3H2.
What are the key properties of 4-(chloromethyl)pyridine-3-carbonyl chloride?
4-(chloromethyl)pyridine-3-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 4-(chloromethyl)pyridine-3-carbonyl chloride is sourced from PubChem (CID 10965291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).