4-cyano-5-hydroxypyridine-2-carbonyl chloride

C7H3ClN2O2 — CID 118833665

IUPAC4-cyano-5-hydroxypyridine-2-carbonyl chloride
SMILESN#Cc1cc(C(=O)Cl)ncc1O
InChIInChI=1S/C7H3ClN2O2/c8-7(12)5-1-4(2-9)6(11)3-10-5/h1,3,11H
InChIKeyAORIDFWAKNSJJY-UHFFFAOYSA-N
MW182.57 g/mol
LogP1.04
Rot. Bonds1

About 4-cyano-5-hydroxypyridine-2-carbonyl chloride

4-cyano-5-hydroxypyridine-2-carbonyl chloride (PubChem CID 118833665) has the molecular formula C7H3ClN2O2 and a molecular weight of 182.57 g/mol. Its IUPAC name is 4-cyano-5-hydroxypyridine-2-carbonyl chloride.

Molecular Properties

Compound Name4-cyano-5-hydroxypyridine-2-carbonyl chloride
PubChem CID118833665
Molecular FormulaC7H3ClN2O2
Molecular Weight182.57 g/mol
Exact Mass181.99
IUPAC Name4-cyano-5-hydroxypyridine-2-carbonyl chloride
SMILESN#Cc1cc(C(=O)Cl)ncc1O
InChIInChI=1S/C7H3ClN2O2/c8-7(12)5-1-4(2-9)6(11)3-10-5/h1,3,11H
InChIKeyAORIDFWAKNSJJY-UHFFFAOYSA-N
XLogP1.04
TPSA73.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.57
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-cyano-5-hydroxypyridine-2-carbonyl chloride?
The IUPAC name of 4-cyano-5-hydroxypyridine-2-carbonyl chloride (CID 118833665) is 4-cyano-5-hydroxypyridine-2-carbonyl chloride.
What is the SMILES notation for 4-cyano-5-hydroxypyridine-2-carbonyl chloride?
The canonical SMILES for 4-cyano-5-hydroxypyridine-2-carbonyl chloride is N#Cc1cc(C(=O)Cl)ncc1O.
What is the InChIKey of 4-cyano-5-hydroxypyridine-2-carbonyl chloride?
The InChIKey is AORIDFWAKNSJJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClN2O2/c8-7(12)5-1-4(2-9)6(11)3-10-5/h1,3,11H.
What are the key properties of 4-cyano-5-hydroxypyridine-2-carbonyl chloride?
4-cyano-5-hydroxypyridine-2-carbonyl chloride has a molecular weight of 182.57 g/mol, XLogP of 1.04, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-5-hydroxypyridine-2-carbonyl chloride is sourced from PubChem (CID 118833665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).