6-(aminomethyl)-5-(difluoromethyl)-4-hydroxy-1H-pyridin-2-one

C7H8F2N2O2 — CID 118848104

IUPAC6-(aminomethyl)-5-(difluoromethyl)-4-hydroxy-1H-pyridin-2-one
SMILESNCc1[nH]c(=O)cc(O)c1C(F)F
InChIInChI=1S/C7H8F2N2O2/c8-7(9)6-3(2-10)11-5(13)1-4(6)12/h1,7H,2,10H2,(H2,11,12,13)
InChIKeyGWLPDNMENDUXQV-UHFFFAOYSA-N
MW190.15 g/mol
LogP0.48
Rot. Bonds2

About 6-(aminomethyl)-5-(difluoromethyl)-4-hydroxy-1H-pyridin-2-one

6-(aminomethyl)-5-(difluoromethyl)-4-hydroxy-1H-pyridin-2-one (PubChem CID 118848104) has the molecular formula C7H8F2N2O2 and a molecular weight of 190.15 g/mol. Its IUPAC name is 6-(aminomethyl)-5-(difluoromethyl)-4-hydroxy-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(aminomethyl)-5-(difluoromethyl)-4-hydroxy-1H-pyridin-2-one
PubChem CID118848104
Molecular FormulaC7H8F2N2O2
Molecular Weight190.15 g/mol
Exact Mass190.06
IUPAC Name6-(aminomethyl)-5-(difluoromethyl)-4-hydroxy-1H-pyridin-2-one
SMILESNCc1[nH]c(=O)cc(O)c1C(F)F
InChIInChI=1S/C7H8F2N2O2/c8-7(9)6-3(2-10)11-5(13)1-4(6)12/h1,7H,2,10H2,(H2,11,12,13)
InChIKeyGWLPDNMENDUXQV-UHFFFAOYSA-N
XLogP0.48
TPSA79.11 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.15
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-5-(difluoromethyl)-4-hydroxy-1H-pyridin-2-one?
The IUPAC name of 6-(aminomethyl)-5-(difluoromethyl)-4-hydroxy-1H-pyridin-2-one (CID 118848104) is 6-(aminomethyl)-5-(difluoromethyl)-4-hydroxy-1H-pyridin-2-one.
What is the SMILES notation for 6-(aminomethyl)-5-(difluoromethyl)-4-hydroxy-1H-pyridin-2-one?
The canonical SMILES for 6-(aminomethyl)-5-(difluoromethyl)-4-hydroxy-1H-pyridin-2-one is NCc1[nH]c(=O)cc(O)c1C(F)F.
What is the InChIKey of 6-(aminomethyl)-5-(difluoromethyl)-4-hydroxy-1H-pyridin-2-one?
The InChIKey is GWLPDNMENDUXQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N2O2/c8-7(9)6-3(2-10)11-5(13)1-4(6)12/h1,7H,2,10H2,(H2,11,12,13).
What are the key properties of 6-(aminomethyl)-5-(difluoromethyl)-4-hydroxy-1H-pyridin-2-one?
6-(aminomethyl)-5-(difluoromethyl)-4-hydroxy-1H-pyridin-2-one has a molecular weight of 190.15 g/mol, XLogP of 0.48, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-5-(difluoromethyl)-4-hydroxy-1H-pyridin-2-one is sourced from PubChem (CID 118848104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).