3,6-diamino-5-(difluoromethyl)-1H-pyridin-2-one

C6H7F2N3O — CID 119013459

IUPAC3,6-diamino-5-(difluoromethyl)-1H-pyridin-2-one
SMILESNc1[nH]c(=O)c(N)cc1C(F)F
InChIInChI=1S/C6H7F2N3O/c7-4(8)2-1-3(9)6(12)11-5(2)10/h1,4H,9H2,(H3,10,11,12)
InChIKeyRWZQKTZIRWFEMS-UHFFFAOYSA-N
MW175.14 g/mol
LogP0.48
Rot. Bonds1

About 3,6-diamino-5-(difluoromethyl)-1H-pyridin-2-one

3,6-diamino-5-(difluoromethyl)-1H-pyridin-2-one (PubChem CID 119013459) has the molecular formula C6H7F2N3O and a molecular weight of 175.14 g/mol. Its IUPAC name is 3,6-diamino-5-(difluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3,6-diamino-5-(difluoromethyl)-1H-pyridin-2-one
PubChem CID119013459
Molecular FormulaC6H7F2N3O
Molecular Weight175.14 g/mol
Exact Mass175.06
IUPAC Name3,6-diamino-5-(difluoromethyl)-1H-pyridin-2-one
SMILESNc1[nH]c(=O)c(N)cc1C(F)F
InChIInChI=1S/C6H7F2N3O/c7-4(8)2-1-3(9)6(12)11-5(2)10/h1,4H,9H2,(H3,10,11,12)
InChIKeyRWZQKTZIRWFEMS-UHFFFAOYSA-N
XLogP0.48
TPSA84.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.14
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,6-diamino-5-(difluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 3,6-diamino-5-(difluoromethyl)-1H-pyridin-2-one (CID 119013459) is 3,6-diamino-5-(difluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 3,6-diamino-5-(difluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 3,6-diamino-5-(difluoromethyl)-1H-pyridin-2-one is Nc1[nH]c(=O)c(N)cc1C(F)F.
What is the InChIKey of 3,6-diamino-5-(difluoromethyl)-1H-pyridin-2-one?
The InChIKey is RWZQKTZIRWFEMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F2N3O/c7-4(8)2-1-3(9)6(12)11-5(2)10/h1,4H,9H2,(H3,10,11,12).
What are the key properties of 3,6-diamino-5-(difluoromethyl)-1H-pyridin-2-one?
3,6-diamino-5-(difluoromethyl)-1H-pyridin-2-one has a molecular weight of 175.14 g/mol, XLogP of 0.48, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diamino-5-(difluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 119013459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).