4-chloropyridine;formyl chloride;hydrochloride

C6H6Cl3NO — CID 172711857

IUPAC4-chloropyridine;formyl chloride;hydrochloride
SMILESCl.Clc1ccncc1.O=CCl
InChIInChI=1S/C5H4ClN.CHClO.ClH/c6-5-1-3-7-4-2-5;2-1-3;/h1-4H;1H;1H
InChIKeyFIVDKGIWMGVNHL-UHFFFAOYSA-N
MW214.48 g/mol
LogP2.57
Rot. Bonds

About 4-chloropyridine;formyl chloride;hydrochloride

4-chloropyridine;formyl chloride;hydrochloride (PubChem CID 172711857) has the molecular formula C6H6Cl3NO and a molecular weight of 214.48 g/mol. Its IUPAC name is 4-chloropyridine;formyl chloride;hydrochloride.

Molecular Properties

Compound Name4-chloropyridine;formyl chloride;hydrochloride
PubChem CID172711857
Molecular FormulaC6H6Cl3NO
Molecular Weight214.48 g/mol
Exact Mass212.95
IUPAC Name4-chloropyridine;formyl chloride;hydrochloride
SMILESCl.Clc1ccncc1.O=CCl
InChIInChI=1S/C5H4ClN.CHClO.ClH/c6-5-1-3-7-4-2-5;2-1-3;/h1-4H;1H;1H
InChIKeyFIVDKGIWMGVNHL-UHFFFAOYSA-N
XLogP2.57
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.48
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloropyridine;formyl chloride;hydrochloride?
The IUPAC name of 4-chloropyridine;formyl chloride;hydrochloride (CID 172711857) is 4-chloropyridine;formyl chloride;hydrochloride.
What is the SMILES notation for 4-chloropyridine;formyl chloride;hydrochloride?
The canonical SMILES for 4-chloropyridine;formyl chloride;hydrochloride is Cl.Clc1ccncc1.O=CCl.
What is the InChIKey of 4-chloropyridine;formyl chloride;hydrochloride?
The InChIKey is FIVDKGIWMGVNHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClN.CHClO.ClH/c6-5-1-3-7-4-2-5;2-1-3;/h1-4H;1H;1H.
What are the key properties of 4-chloropyridine;formyl chloride;hydrochloride?
4-chloropyridine;formyl chloride;hydrochloride has a molecular weight of 214.48 g/mol, XLogP of 2.57, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloropyridine;formyl chloride;hydrochloride is sourced from PubChem (CID 172711857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).