2-amino-3-chloro-5-(difluoromethyl)-1H-pyridin-4-one

C6H5ClF2N2O — CID 119019378

IUPAC2-amino-3-chloro-5-(difluoromethyl)-1H-pyridin-4-one
SMILESNc1[nH]cc(C(F)F)c(=O)c1Cl
InChIInChI=1S/C6H5ClF2N2O/c7-3-4(12)2(5(8)9)1-11-6(3)10/h1,5H,(H3,10,11,12)
InChIKeyNLQVIOPRWDFUPG-UHFFFAOYSA-N
MW194.57 g/mol
LogP1.55
Rot. Bonds1

About 2-amino-3-chloro-5-(difluoromethyl)-1H-pyridin-4-one

2-amino-3-chloro-5-(difluoromethyl)-1H-pyridin-4-one (PubChem CID 119019378) has the molecular formula C6H5ClF2N2O and a molecular weight of 194.57 g/mol. Its IUPAC name is 2-amino-3-chloro-5-(difluoromethyl)-1H-pyridin-4-one.

Molecular Properties

Compound Name2-amino-3-chloro-5-(difluoromethyl)-1H-pyridin-4-one
PubChem CID119019378
Molecular FormulaC6H5ClF2N2O
Molecular Weight194.57 g/mol
Exact Mass194.01
IUPAC Name2-amino-3-chloro-5-(difluoromethyl)-1H-pyridin-4-one
SMILESNc1[nH]cc(C(F)F)c(=O)c1Cl
InChIInChI=1S/C6H5ClF2N2O/c7-3-4(12)2(5(8)9)1-11-6(3)10/h1,5H,(H3,10,11,12)
InChIKeyNLQVIOPRWDFUPG-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 2-amino-3-chloro-5-(difluoromethyl)-1H-pyridin-4-one?
The IUPAC name of 2-amino-3-chloro-5-(difluoromethyl)-1H-pyridin-4-one (CID 119019378) is 2-amino-3-chloro-5-(difluoromethyl)-1H-pyridin-4-one.
What is the SMILES notation for 2-amino-3-chloro-5-(difluoromethyl)-1H-pyridin-4-one?
The canonical SMILES for 2-amino-3-chloro-5-(difluoromethyl)-1H-pyridin-4-one is Nc1[nH]cc(C(F)F)c(=O)c1Cl.
What is the InChIKey of 2-amino-3-chloro-5-(difluoromethyl)-1H-pyridin-4-one?
The InChIKey is NLQVIOPRWDFUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClF2N2O/c7-3-4(12)2(5(8)9)1-11-6(3)10/h1,5H,(H3,10,11,12).
What are the key properties of 2-amino-3-chloro-5-(difluoromethyl)-1H-pyridin-4-one?
2-amino-3-chloro-5-(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 2-amino-3-chloro-5-(difluoromethyl)-1H-pyridin-4-one is sourced from PubChem (CID 119019378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).