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

C5H4ClFN2O — CID 135395065

IUPAC3-amino-5-chloro-4-fluoro-1H-pyridin-2-one
SMILESNc1c(F)c(Cl)c[nH]c1=O
InChIInChI=1S/C5H4ClFN2O/c6-2-1-9-5(10)4(8)3(2)7/h1H,8H2,(H,9,10)
InChIKeyYCLBMUYDSJCYLX-UHFFFAOYSA-N
MW162.55 g/mol
LogP0.75
Rot. Bonds

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

3-amino-5-chloro-4-fluoro-1H-pyridin-2-one (PubChem CID 135395065) has the molecular formula C5H4ClFN2O and a molecular weight of 162.55 g/mol. Its IUPAC name is 3-amino-5-chloro-4-fluoro-1H-pyridin-2-one.

Molecular Properties

Compound Name3-amino-5-chloro-4-fluoro-1H-pyridin-2-one
PubChem CID135395065
Molecular FormulaC5H4ClFN2O
Molecular Weight162.55 g/mol
Exact Mass162.00
IUPAC Name3-amino-5-chloro-4-fluoro-1H-pyridin-2-one
SMILESNc1c(F)c(Cl)c[nH]c1=O
InChIInChI=1S/C5H4ClFN2O/c6-2-1-9-5(10)4(8)3(2)7/h1H,8H2,(H,9,10)
InChIKeyYCLBMUYDSJCYLX-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-dichloro-1H-pyridin-2-one
CID 13255534
3,6-dichloro-2-fluoroaniline
CID 46737655
3,5-dichloro-4-hydrazinyl-1H-pyridin-2-one
CID 143475366
4,5-dichloro-3-methyl-1H-pyridin-2-one
CID 67855435
3,4,5-trifluoro-1H-pyridin-2-one
CID 22133596
4-amino-3-(difluoromethyl)-5-fluoro-1H-pyridin-2-one
CID 118805633
5-chloro-1H-pyrimidine-2,4-dione
CID 15758
3-amino-5-(difluoromethyl)-4-methyl-1H-pyridin-2-one
CID 130104590
5-amino-4-(difluoromethyl)-6-oxo-1H-pyridine-3-sulfonyl chloride
CID 130105066
5-chloro-4-(difluoromethyl)-2-oxo-1H-pyridine-3-carbaldehyde
CID 130072642
5-chloro-4-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxylic acid
CID 130072677
5-chloro-4-(difluoromethyl)-3-(hydroxymethyl)-1H-pyridin-2-one
CID 130072604

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-chloro-4-fluoro-1H-pyridin-2-one?
The IUPAC name of 3-amino-5-chloro-4-fluoro-1H-pyridin-2-one (CID 135395065) is 3-amino-5-chloro-4-fluoro-1H-pyridin-2-one.
What is the SMILES notation for 3-amino-5-chloro-4-fluoro-1H-pyridin-2-one?
The canonical SMILES for 3-amino-5-chloro-4-fluoro-1H-pyridin-2-one is Nc1c(F)c(Cl)c[nH]c1=O.
What is the InChIKey of 3-amino-5-chloro-4-fluoro-1H-pyridin-2-one?
The InChIKey is YCLBMUYDSJCYLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClFN2O/c6-2-1-9-5(10)4(8)3(2)7/h1H,8H2,(H,9,10).
What are the key properties of 3-amino-5-chloro-4-fluoro-1H-pyridin-2-one?
3-amino-5-chloro-4-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 3-amino-5-chloro-4-fluoro-1H-pyridin-2-one is sourced from PubChem (CID 135395065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).