6-(aminomethyl)-2-(difluoromethyl)-3-hydroxy-1H-pyridin-4-one

C7H8F2N2O2 — CID 130100144

IUPAC6-(aminomethyl)-2-(difluoromethyl)-3-hydroxy-1H-pyridin-4-one
SMILESNCc1cc(=O)c(O)c(C(F)F)[nH]1
InChIInChI=1S/C7H8F2N2O2/c8-7(9)5-6(13)4(12)1-3(2-10)11-5/h1,7,13H,2,10H2,(H,11,12)
InChIKeyFFVVBHSMGDWQAI-UHFFFAOYSA-N
MW190.15 g/mol
LogP0.48
Rot. Bonds2

About 6-(aminomethyl)-2-(difluoromethyl)-3-hydroxy-1H-pyridin-4-one

6-(aminomethyl)-2-(difluoromethyl)-3-hydroxy-1H-pyridin-4-one (PubChem CID 130100144) has the molecular formula C7H8F2N2O2 and a molecular weight of 190.15 g/mol. Its IUPAC name is 6-(aminomethyl)-2-(difluoromethyl)-3-hydroxy-1H-pyridin-4-one.

Molecular Properties

Compound Name6-(aminomethyl)-2-(difluoromethyl)-3-hydroxy-1H-pyridin-4-one
PubChem CID130100144
Molecular FormulaC7H8F2N2O2
Molecular Weight190.15 g/mol
Exact Mass190.06
IUPAC Name6-(aminomethyl)-2-(difluoromethyl)-3-hydroxy-1H-pyridin-4-one
SMILESNCc1cc(=O)c(O)c(C(F)F)[nH]1
InChIInChI=1S/C7H8F2N2O2/c8-7(9)5-6(13)4(12)1-3(2-10)11-5/h1,7,13H,2,10H2,(H,11,12)
InChIKeyFFVVBHSMGDWQAI-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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Related Compounds

2-[6-(aminomethyl)-2-(difluoromethyl)-4-oxo-1H-pyridin-3-yl]acetic acid
CID 133102873
6-(aminomethyl)-2-(difluoromethyl)-3-nitro-1H-pyridin-4-one
CID 130084199
4-(aminomethyl)-6-(difluoromethyl)-5-hydroxy-1H-pyridin-2-one
CID 130100139
2-[6-(difluoromethyl)-5-fluoro-4-oxo-1H-pyridin-2-yl]acetic acid
CID 118831564
2-(difluoromethyl)-3-hydroxy-6-oxo-1H-pyridine-4-carboxamide
CID 118820480
6-(aminomethyl)-3-(difluoromethyl)-4-iodo-1H-pyridin-2-one
CID 130082578
2-amino-6-(difluoromethyl)-3-hydroxy-1H-pyridin-4-one
CID 119007865
6-(chloromethyl)-2-(difluoromethyl)-4-oxo-1H-pyridine-3-carbonitrile
CID 130076657
2-(aminomethyl)-6,7-difluoro-1H-quinolin-4-one
CID 82507992
4-(aminomethyl)-6-(difluoromethyl)-5-fluoro-1H-pyridin-2-one
CID 130079392
4-(aminomethyl)-6-(difluoromethyl)-5-iodo-1H-pyridin-2-one
CID 130082600
methyl 5-(aminomethyl)-6-(difluoromethyl)-4-oxo-1H-pyridine-2-carboxylate
CID 133102918

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-2-(difluoromethyl)-3-hydroxy-1H-pyridin-4-one?
The IUPAC name of 6-(aminomethyl)-2-(difluoromethyl)-3-hydroxy-1H-pyridin-4-one (CID 130100144) is 6-(aminomethyl)-2-(difluoromethyl)-3-hydroxy-1H-pyridin-4-one.
What is the SMILES notation for 6-(aminomethyl)-2-(difluoromethyl)-3-hydroxy-1H-pyridin-4-one?
The canonical SMILES for 6-(aminomethyl)-2-(difluoromethyl)-3-hydroxy-1H-pyridin-4-one is NCc1cc(=O)c(O)c(C(F)F)[nH]1.
What is the InChIKey of 6-(aminomethyl)-2-(difluoromethyl)-3-hydroxy-1H-pyridin-4-one?
The InChIKey is FFVVBHSMGDWQAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N2O2/c8-7(9)5-6(13)4(12)1-3(2-10)11-5/h1,7,13H,2,10H2,(H,11,12).
What are the key properties of 6-(aminomethyl)-2-(difluoromethyl)-3-hydroxy-1H-pyridin-4-one?
6-(aminomethyl)-2-(difluoromethyl)-3-hydroxy-1H-pyridin-4-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)-2-(difluoromethyl)-3-hydroxy-1H-pyridin-4-one is sourced from PubChem (CID 130100144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).