3-chloropyridine-2-carbonyl chloride

C6H3Cl2NO — CID 45081497

IUPAC3-chloropyridine-2-carbonyl chloride
SMILESO=C(Cl)c1ncccc1Cl
InChIInChI=1S/C6H3Cl2NO/c7-4-2-1-3-9-5(4)6(8)10/h1-3H
InChIKeyZAFLZRNJFHWOQQ-UHFFFAOYSA-N
MW176.00 g/mol
LogP2.11
Rot. Bonds1

About 3-chloropyridine-2-carbonyl chloride

3-chloropyridine-2-carbonyl chloride (PubChem CID 45081497) has the molecular formula C6H3Cl2NO and a molecular weight of 176.00 g/mol. Its IUPAC name is 3-chloropyridine-2-carbonyl chloride.

Molecular Properties

Compound Name3-chloropyridine-2-carbonyl chloride
PubChem CID45081497
Molecular FormulaC6H3Cl2NO
Molecular Weight176.00 g/mol
Exact Mass174.96
IUPAC Name3-chloropyridine-2-carbonyl chloride
SMILESO=C(Cl)c1ncccc1Cl
InChIInChI=1S/C6H3Cl2NO/c7-4-2-1-3-9-5(4)6(8)10/h1-3H
InChIKeyZAFLZRNJFHWOQQ-UHFFFAOYSA-N
XLogP2.11
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.00
LogP ≤ 52.11
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

(2-chlorophenyl)-(3-chloro-2-pyridinyl)methanone
CID 103443193
1-(3-chloro-2-pyridinyl)propan-1-one
CID 67986834
diazanium;3-chloropyridine-2-carboxylate;ethanolate
CID 141333472
(3-chloro-2-pyridinyl)-thiophen-2-ylmethanone
CID 103443291
(3-chloro-2-pyridinyl)-(3-chlorothiophen-2-yl)methanone
CID 107359480
(3-chloro-2-pyridinyl)-(3,5-dimethylphenyl)methanone
CID 103443191
1-(3-chloro-2-pyridinyl)-4,4,4-trifluorobutan-1-one
CID 103443231
4-chloro-3-phenylpyridine-2-carbonyl chloride
CID 133097772
3-chloro-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 175833514
(E)-1-(3-chloro-2-pyridinyl)-3-(dimethylamino)prop-2-en-1-one
CID 23537002
2-(2-amino-3-pyridinyl)-1-(3-chloro-2-pyridinyl)ethanone
CID 103443047
3-chloropyrazine-2-carbonyl chloride
CID 15644194

Frequently Asked Questions

What is the IUPAC name of 3-chloropyridine-2-carbonyl chloride?
The IUPAC name of 3-chloropyridine-2-carbonyl chloride (CID 45081497) is 3-chloropyridine-2-carbonyl chloride.
What is the SMILES notation for 3-chloropyridine-2-carbonyl chloride?
The canonical SMILES for 3-chloropyridine-2-carbonyl chloride is O=C(Cl)c1ncccc1Cl.
What is the InChIKey of 3-chloropyridine-2-carbonyl chloride?
The InChIKey is ZAFLZRNJFHWOQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Cl2NO/c7-4-2-1-3-9-5(4)6(8)10/h1-3H.
What are the key properties of 3-chloropyridine-2-carbonyl chloride?
3-chloropyridine-2-carbonyl chloride has a molecular weight of 176.00 g/mol, XLogP of 2.11, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloropyridine-2-carbonyl chloride is sourced from PubChem (CID 45081497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).