6-amino-3-chloro-2-(difluoromethyl)-1H-pyridin-4-one

C6H5ClF2N2O — CID 130102466

IUPAC6-amino-3-chloro-2-(difluoromethyl)-1H-pyridin-4-one
SMILESNc1cc(=O)c(Cl)c(C(F)F)[nH]1
InChIInChI=1S/C6H5ClF2N2O/c7-4-2(12)1-3(10)11-5(4)6(8)9/h1,6H,(H3,10,11,12)
InChIKeyAVTPMHNETDPRRO-UHFFFAOYSA-N
MW194.57 g/mol
LogP1.55
Rot. Bonds1

About 6-amino-3-chloro-2-(difluoromethyl)-1H-pyridin-4-one

6-amino-3-chloro-2-(difluoromethyl)-1H-pyridin-4-one (PubChem CID 130102466) has the molecular formula C6H5ClF2N2O and a molecular weight of 194.57 g/mol. Its IUPAC name is 6-amino-3-chloro-2-(difluoromethyl)-1H-pyridin-4-one.

Molecular Properties

Compound Name6-amino-3-chloro-2-(difluoromethyl)-1H-pyridin-4-one
PubChem CID130102466
Molecular FormulaC6H5ClF2N2O
Molecular Weight194.57 g/mol
Exact Mass194.01
IUPAC Name6-amino-3-chloro-2-(difluoromethyl)-1H-pyridin-4-one
SMILESNc1cc(=O)c(Cl)c(C(F)F)[nH]1
InChIInChI=1S/C6H5ClF2N2O/c7-4-2(12)1-3(10)11-5(4)6(8)9/h1,6H,(H3,10,11,12)
InChIKeyAVTPMHNETDPRRO-UHFFFAOYSA-N
XLogP1.55
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.57
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-amino-3-chloro-2-(difluoromethyl)-1H-pyridin-4-one?
The IUPAC name of 6-amino-3-chloro-2-(difluoromethyl)-1H-pyridin-4-one (CID 130102466) is 6-amino-3-chloro-2-(difluoromethyl)-1H-pyridin-4-one.
What is the SMILES notation for 6-amino-3-chloro-2-(difluoromethyl)-1H-pyridin-4-one?
The canonical SMILES for 6-amino-3-chloro-2-(difluoromethyl)-1H-pyridin-4-one is Nc1cc(=O)c(Cl)c(C(F)F)[nH]1.
What is the InChIKey of 6-amino-3-chloro-2-(difluoromethyl)-1H-pyridin-4-one?
The InChIKey is AVTPMHNETDPRRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClF2N2O/c7-4-2(12)1-3(10)11-5(4)6(8)9/h1,6H,(H3,10,11,12).
What are the key properties of 6-amino-3-chloro-2-(difluoromethyl)-1H-pyridin-4-one?
6-amino-3-chloro-2-(difluoromethyl)-1H-pyridin-4-one has a molecular weight of 194.57 g/mol, XLogP of 1.55, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-chloro-2-(difluoromethyl)-1H-pyridin-4-one is sourced from PubChem (CID 130102466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).