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

C8H10F2N2O2 — CID 118808520

IUPAC6-(aminomethyl)-5-(difluoromethyl)-4-(hydroxymethyl)-1H-pyridin-2-one
SMILESNCc1[nH]c(=O)cc(CO)c1C(F)F
InChIInChI=1S/C8H10F2N2O2/c9-8(10)7-4(3-13)1-6(14)12-5(7)2-11/h1,8,13H,2-3,11H2,(H,12,14)
InChIKeyGQWPQKKTQXMVJE-UHFFFAOYSA-N
MW204.18 g/mol
LogP0.26
Rot. Bonds3

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

6-(aminomethyl)-5-(difluoromethyl)-4-(hydroxymethyl)-1H-pyridin-2-one (PubChem CID 118808520) has the molecular formula C8H10F2N2O2 and a molecular weight of 204.18 g/mol. Its IUPAC name is 6-(aminomethyl)-5-(difluoromethyl)-4-(hydroxymethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(aminomethyl)-5-(difluoromethyl)-4-(hydroxymethyl)-1H-pyridin-2-one
PubChem CID118808520
Molecular FormulaC8H10F2N2O2
Molecular Weight204.18 g/mol
Exact Mass204.07
IUPAC Name6-(aminomethyl)-5-(difluoromethyl)-4-(hydroxymethyl)-1H-pyridin-2-one
SMILESNCc1[nH]c(=O)cc(CO)c1C(F)F
InChIInChI=1S/C8H10F2N2O2/c9-8(10)7-4(3-13)1-6(14)12-5(7)2-11/h1,8,13H,2-3,11H2,(H,12,14)
InChIKeyGQWPQKKTQXMVJE-UHFFFAOYSA-N
XLogP0.26
TPSA79.11 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.18
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[2-(aminomethyl)-3-(difluoromethyl)-6-oxo-1H-pyridin-4-yl]acetate
CID 133102959
5-(difluoromethyl)-4-(hydroxymethyl)-6-methyl-1H-pyridin-2-one
CID 130083894
6-(aminomethyl)-5-(difluoromethyl)-4-(trifluoromethyl)-1H-pyridin-2-one
CID 118853573
6-(difluoromethyl)-4-(hydroxymethyl)-5-iodo-1H-pyridin-2-one
CID 118803664
4-(aminomethyl)-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carbaldehyde
CID 118823507
4-(aminomethyl)-6-(difluoromethyl)-5-iodo-1H-pyridin-2-one
CID 130082600
2-(aminomethyl)-3-(difluoromethyl)-6-iodo-1H-pyridin-4-one
CID 118819770
6-(aminomethyl)-4-(difluoromethyl)-5-methyl-1H-pyridin-2-one
CID 118808535
4-(aminomethyl)-6-(difluoromethyl)-5-hydroxy-1H-pyridin-2-one
CID 130100139
2-[3-(difluoromethyl)-2-nitro-6-oxo-1H-pyridin-4-yl]acetic acid
CID 133103082
2-(aminomethyl)-4-(difluoromethyl)-6-oxo-1H-pyridine-3-carbaldehyde
CID 118842576
3-(aminomethyl)-4-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one
CID 130084595

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-5-(difluoromethyl)-4-(hydroxymethyl)-1H-pyridin-2-one?
The IUPAC name of 6-(aminomethyl)-5-(difluoromethyl)-4-(hydroxymethyl)-1H-pyridin-2-one (CID 118808520) is 6-(aminomethyl)-5-(difluoromethyl)-4-(hydroxymethyl)-1H-pyridin-2-one.
What is the SMILES notation for 6-(aminomethyl)-5-(difluoromethyl)-4-(hydroxymethyl)-1H-pyridin-2-one?
The canonical SMILES for 6-(aminomethyl)-5-(difluoromethyl)-4-(hydroxymethyl)-1H-pyridin-2-one is NCc1[nH]c(=O)cc(CO)c1C(F)F.
What is the InChIKey of 6-(aminomethyl)-5-(difluoromethyl)-4-(hydroxymethyl)-1H-pyridin-2-one?
The InChIKey is GQWPQKKTQXMVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N2O2/c9-8(10)7-4(3-13)1-6(14)12-5(7)2-11/h1,8,13H,2-3,11H2,(H,12,14).
What are the key properties of 6-(aminomethyl)-5-(difluoromethyl)-4-(hydroxymethyl)-1H-pyridin-2-one?
6-(aminomethyl)-5-(difluoromethyl)-4-(hydroxymethyl)-1H-pyridin-2-one has a molecular weight of 204.18 g/mol, XLogP of 0.26, 3 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-(hydroxymethyl)-1H-pyridin-2-one is sourced from PubChem (CID 118808520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).