3-chloro-1H-pyridin-4-one

C5H4ClNO — CID 2762929

IUPAC3-chloro-1H-pyridin-4-one
SMILESO=c1cc[nH]cc1Cl
InChIInChI=1S/C5H4ClNO/c6-4-3-7-2-1-5(4)8/h1-3H,(H,7,8)
InChIKeyNKEYLLFRPHHBOQ-UHFFFAOYSA-N
MW129.55 g/mol
LogP1.03
Rot. Bonds

About 3-chloro-1H-pyridin-4-one

3-chloro-1H-pyridin-4-one (PubChem CID 2762929) has the molecular formula C5H4ClNO and a molecular weight of 129.55 g/mol. Its IUPAC name is 3-chloro-1H-pyridin-4-one.

Molecular Properties

Compound Name3-chloro-1H-pyridin-4-one
PubChem CID2762929
Molecular FormulaC5H4ClNO
Molecular Weight129.55 g/mol
Exact Mass129.00
IUPAC Name3-chloro-1H-pyridin-4-one
SMILESO=c1cc[nH]cc1Cl
InChIInChI=1S/C5H4ClNO/c6-4-3-7-2-1-5(4)8/h1-3H,(H,7,8)
InChIKeyNKEYLLFRPHHBOQ-UHFFFAOYSA-N
XLogP1.03
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.55
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-Hydroxypyridine
CID 12290
3,5-Dichloro-4-pyridone
CID 87011
Pyriclor
CID 16076
2-Chloro-4(1H)-pyridinone
CID 87010
2,5-Dichloropyridin-4-ol
CID 2735996
5-Amino-2-chloropyridin-4-ol
CID 45079902
2-Aminopyridin-4-ol hydrochloride
CID 46835443
2-Chloro-5-iodo-4-pyridinol
CID 58053654
2,3-Dichloro-4-hydroxypyridine
CID 58535084
2-Chloro-3-fluoro-4-hydroxypyridine
CID 70700710
2-Chloro-5-fluoropyridin-4-ol
CID 72212506
2-Bromo-5-chloropyridin-4-ol
CID 57336549

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1H-pyridin-4-one?
The IUPAC name of 3-chloro-1H-pyridin-4-one (CID 2762929) is 3-chloro-1H-pyridin-4-one.
What is the SMILES notation for 3-chloro-1H-pyridin-4-one?
The canonical SMILES for 3-chloro-1H-pyridin-4-one is O=c1cc[nH]cc1Cl.
What is the InChIKey of 3-chloro-1H-pyridin-4-one?
The InChIKey is NKEYLLFRPHHBOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClNO/c6-4-3-7-2-1-5(4)8/h1-3H,(H,7,8).
What are the key properties of 3-chloro-1H-pyridin-4-one?
3-chloro-1H-pyridin-4-one has a molecular weight of 129.55 g/mol, XLogP of 1.03, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1H-pyridin-4-one is sourced from PubChem (CID 2762929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).