4-amino-3-chloro-5-fluoro-1H-pyridin-2-one

C5H4ClFN2O — CID 77231614

IUPAC4-amino-3-chloro-5-fluoro-1H-pyridin-2-one
SMILESNc1c(F)c[nH]c(=O)c1Cl
InChIInChI=1S/C5H4ClFN2O/c6-3-4(8)2(7)1-9-5(3)10/h1H,(H3,8,9,10)
InChIKeyFEOCNYYSQOOGFI-UHFFFAOYSA-N
MW162.55 g/mol
LogP0.75
Rot. Bonds

About 4-amino-3-chloro-5-fluoro-1H-pyridin-2-one

4-amino-3-chloro-5-fluoro-1H-pyridin-2-one (PubChem CID 77231614) has the molecular formula C5H4ClFN2O and a molecular weight of 162.55 g/mol. Its IUPAC name is 4-amino-3-chloro-5-fluoro-1H-pyridin-2-one.

Molecular Properties

Compound Name4-amino-3-chloro-5-fluoro-1H-pyridin-2-one
PubChem CID77231614
Molecular FormulaC5H4ClFN2O
Molecular Weight162.55 g/mol
Exact Mass162.00
IUPAC Name4-amino-3-chloro-5-fluoro-1H-pyridin-2-one
SMILESNc1c(F)c[nH]c(=O)c1Cl
InChIInChI=1S/C5H4ClFN2O/c6-3-4(8)2(7)1-9-5(3)10/h1H,(H3,8,9,10)
InChIKeyFEOCNYYSQOOGFI-UHFFFAOYSA-N
XLogP0.75
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.55
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-Amino-3,5-difluoropyridin-2-ol
CID 44343798
4-Amino-3,5-dichloro-6-hydroxypyridine
CID 13255534
4-amino-3-chloro-5-(trifluoromethyl)-1H-pyridin-2-one
CID 69883344
3,5-difluoro-4-(methylamino)-1H-pyridin-2-one
CID 177301501
3-amino-4-chloro-5-fluoro-1H-pyridin-2-one
CID 178139329
4-Amino-5-chloro-3-(difluoromethyl)pyridin-2-ol
CID 118800931
5-amino-3-chloro-4-(difluoromethyl)-1H-pyridin-2-one
CID 130102484
3-Amino-5-chloro-4-fluoropyridin-2-ol
CID 135395065
4-Amino-3-chloropyridin-2-ol
CID 13914614
5-Amino-3-chloropyridin-2-ol
CID 55289834
4-Amino-5-chloropyridin-2-OL
CID 72212780

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-chloro-5-fluoro-1H-pyridin-2-one?
The IUPAC name of 4-amino-3-chloro-5-fluoro-1H-pyridin-2-one (CID 77231614) is 4-amino-3-chloro-5-fluoro-1H-pyridin-2-one.
What is the SMILES notation for 4-amino-3-chloro-5-fluoro-1H-pyridin-2-one?
The canonical SMILES for 4-amino-3-chloro-5-fluoro-1H-pyridin-2-one is Nc1c(F)c[nH]c(=O)c1Cl.
What is the InChIKey of 4-amino-3-chloro-5-fluoro-1H-pyridin-2-one?
The InChIKey is FEOCNYYSQOOGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClFN2O/c6-3-4(8)2(7)1-9-5(3)10/h1H,(H3,8,9,10).
What are the key properties of 4-amino-3-chloro-5-fluoro-1H-pyridin-2-one?
4-amino-3-chloro-5-fluoro-1H-pyridin-2-one has a molecular weight of 162.55 g/mol, XLogP of 0.75, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-chloro-5-fluoro-1H-pyridin-2-one is sourced from PubChem (CID 77231614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).