4,5,6-trichloro-3-hydroxypyridine-2-carbonitrile

C6HCl3N2O — CID 130365828

IUPAC4,5,6-trichloro-3-hydroxypyridine-2-carbonitrile
SMILESN#Cc1nc(Cl)c(Cl)c(Cl)c1O
InChIInChI=1S/C6HCl3N2O/c7-3-4(8)6(9)11-2(1-10)5(3)12/h12H
InChIKeyVRCKLLBEKVQGRL-UHFFFAOYSA-N
MW223.45 g/mol
LogP2.62
Rot. Bonds

About 4,5,6-trichloro-3-hydroxypyridine-2-carbonitrile

4,5,6-trichloro-3-hydroxypyridine-2-carbonitrile (PubChem CID 130365828) has the molecular formula C6HCl3N2O and a molecular weight of 223.45 g/mol. Its IUPAC name is 4,5,6-trichloro-3-hydroxypyridine-2-carbonitrile.

Molecular Properties

Compound Name4,5,6-trichloro-3-hydroxypyridine-2-carbonitrile
PubChem CID130365828
Molecular FormulaC6HCl3N2O
Molecular Weight223.45 g/mol
Exact Mass221.92
IUPAC Name4,5,6-trichloro-3-hydroxypyridine-2-carbonitrile
SMILESN#Cc1nc(Cl)c(Cl)c(Cl)c1O
InChIInChI=1S/C6HCl3N2O/c7-3-4(8)6(9)11-2(1-10)5(3)12/h12H
InChIKeyVRCKLLBEKVQGRL-UHFFFAOYSA-N
XLogP2.62
TPSA56.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.45
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,5,6-trichloro-3-hydroxypyridine-2-carbonitrile?
The IUPAC name of 4,5,6-trichloro-3-hydroxypyridine-2-carbonitrile (CID 130365828) is 4,5,6-trichloro-3-hydroxypyridine-2-carbonitrile.
What is the SMILES notation for 4,5,6-trichloro-3-hydroxypyridine-2-carbonitrile?
The canonical SMILES for 4,5,6-trichloro-3-hydroxypyridine-2-carbonitrile is N#Cc1nc(Cl)c(Cl)c(Cl)c1O.
What is the InChIKey of 4,5,6-trichloro-3-hydroxypyridine-2-carbonitrile?
The InChIKey is VRCKLLBEKVQGRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HCl3N2O/c7-3-4(8)6(9)11-2(1-10)5(3)12/h12H.
What are the key properties of 4,5,6-trichloro-3-hydroxypyridine-2-carbonitrile?
4,5,6-trichloro-3-hydroxypyridine-2-carbonitrile has a molecular weight of 223.45 g/mol, XLogP of 2.62, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6-trichloro-3-hydroxypyridine-2-carbonitrile is sourced from PubChem (CID 130365828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).