6-chloropyridine-3-carbonyl chloride;6-chloropyridine-3-carboxylic acid;hydrochloride

C12H8Cl4N2O3 — CID 158925044

IUPAC6-chloropyridine-3-carbonyl chloride;6-chloropyridine-3-carboxylic acid;hydrochloride
SMILESCl.O=C(Cl)c1ccc(Cl)nc1.O=C(O)c1ccc(Cl)nc1
InChIInChI=1S/C6H3Cl2NO.C6H4ClNO2.ClH/c7-5-2-1-4(3-9-5)6(8)10;7-5-2-1-4(3-8-5)6(9)10;/h1-3H;1-3H,(H,9,10);1H
InChIKeyLAEANXQOVUUYFU-UHFFFAOYSA-N
MW370.02 g/mol
LogP3.97
Rot. Bonds2

About 6-chloropyridine-3-carbonyl chloride;6-chloropyridine-3-carboxylic acid;hydrochloride

6-chloropyridine-3-carbonyl chloride;6-chloropyridine-3-carboxylic acid;hydrochloride (PubChem CID 158925044) has the molecular formula C12H8Cl4N2O3 and a molecular weight of 370.02 g/mol. Its IUPAC name is 6-chloropyridine-3-carbonyl chloride;6-chloropyridine-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name6-chloropyridine-3-carbonyl chloride;6-chloropyridine-3-carboxylic acid;hydrochloride
PubChem CID158925044
Molecular FormulaC12H8Cl4N2O3
Molecular Weight370.02 g/mol
Exact Mass367.93
IUPAC Name6-chloropyridine-3-carbonyl chloride;6-chloropyridine-3-carboxylic acid;hydrochloride
SMILESCl.O=C(Cl)c1ccc(Cl)nc1.O=C(O)c1ccc(Cl)nc1
InChIInChI=1S/C6H3Cl2NO.C6H4ClNO2.ClH/c7-5-2-1-4(3-9-5)6(8)10;7-5-2-1-4(3-8-5)6(9)10;/h1-3H;1-3H,(H,9,10);1H
InChIKeyLAEANXQOVUUYFU-UHFFFAOYSA-N
XLogP3.97
TPSA80.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.02
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloropyridine-3-carbonyl chloride;6-chloropyridine-3-carboxylic acid;hydrochloride?
The IUPAC name of 6-chloropyridine-3-carbonyl chloride;6-chloropyridine-3-carboxylic acid;hydrochloride (CID 158925044) is 6-chloropyridine-3-carbonyl chloride;6-chloropyridine-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 6-chloropyridine-3-carbonyl chloride;6-chloropyridine-3-carboxylic acid;hydrochloride?
The canonical SMILES for 6-chloropyridine-3-carbonyl chloride;6-chloropyridine-3-carboxylic acid;hydrochloride is Cl.O=C(Cl)c1ccc(Cl)nc1.O=C(O)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloropyridine-3-carbonyl chloride;6-chloropyridine-3-carboxylic acid;hydrochloride?
The InChIKey is LAEANXQOVUUYFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Cl2NO.C6H4ClNO2.ClH/c7-5-2-1-4(3-9-5)6(8)10;7-5-2-1-4(3-8-5)6(9)10;/h1-3H;1-3H,(H,9,10);1H.
What are the key properties of 6-chloropyridine-3-carbonyl chloride;6-chloropyridine-3-carboxylic acid;hydrochloride?
6-chloropyridine-3-carbonyl chloride;6-chloropyridine-3-carboxylic acid;hydrochloride has a molecular weight of 370.02 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloropyridine-3-carbonyl chloride;6-chloropyridine-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 158925044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).