2-chloropyridine-3-carbonyl chloride

C6H3Cl2NO — CID 2774541

IUPAC2-chloropyridine-3-carbonyl chloride
SMILESO=C(Cl)c1cccnc1Cl
InChIInChI=1S/C6H3Cl2NO/c7-5-4(6(8)10)2-1-3-9-5/h1-3H
InChIKeyRXTRRIFWCJEMEL-UHFFFAOYSA-N
MW176.00 g/mol
LogP2.11
Rot. Bonds1

About 2-chloropyridine-3-carbonyl chloride

2-chloropyridine-3-carbonyl chloride (PubChem CID 2774541) has the molecular formula C6H3Cl2NO and a molecular weight of 176.00 g/mol. Its IUPAC name is 2-chloropyridine-3-carbonyl chloride.

Molecular Properties

Compound Name2-chloropyridine-3-carbonyl chloride
PubChem CID2774541
Molecular FormulaC6H3Cl2NO
Molecular Weight176.00 g/mol
Exact Mass174.96
IUPAC Name2-chloropyridine-3-carbonyl chloride
SMILESO=C(Cl)c1cccnc1Cl
InChIInChI=1S/C6H3Cl2NO/c7-5-4(6(8)10)2-1-3-9-5/h1-3H
InChIKeyRXTRRIFWCJEMEL-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': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

Nicotinamide
CID 936
3-Pyridinecarboxaldehyde
CID 10371
3-Acetylpyridine
CID 9589
2-Fluoro-5-formylpyridine
CID 16414246
2-Chloro-3-pyridinecarboxaldehyde
CID 737607
6-Chloronicotinamide
CID 80456
3-(2-Chlorophenyl)-1-(3-pyridinyl)-2-propen-1-one
CID 5721263
3-(4-Chlorophenyl)-1-(3-pyridinyl)-2-propen-1-one
CID 5997879
N3-Benzyl-2-chloronicotinamide
CID 2794855
2-Chloroisonicotinamide
CID 2800022
6-Chloropyridine-3-carbaldehyde
CID 2764053
1-(6-Chloropyridin-3-yl)ethan-1-one
CID 2779698

Frequently Asked Questions

What is the IUPAC name of 2-chloropyridine-3-carbonyl chloride?
The IUPAC name of 2-chloropyridine-3-carbonyl chloride (CID 2774541) is 2-chloropyridine-3-carbonyl chloride.
What is the SMILES notation for 2-chloropyridine-3-carbonyl chloride?
The canonical SMILES for 2-chloropyridine-3-carbonyl chloride is O=C(Cl)c1cccnc1Cl.
What is the InChIKey of 2-chloropyridine-3-carbonyl chloride?
The InChIKey is RXTRRIFWCJEMEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Cl2NO/c7-5-4(6(8)10)2-1-3-9-5/h1-3H.
What are the key properties of 2-chloropyridine-3-carbonyl chloride?
2-chloropyridine-3-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 2-chloropyridine-3-carbonyl chloride is sourced from PubChem (CID 2774541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).