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

C8H10F2N2O2 — CID 130084595

IUPAC3-(aminomethyl)-4-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one
SMILESNCc1c(C(F)F)c(CO)c[nH]c1=O
InChIInChI=1S/C8H10F2N2O2/c9-7(10)6-4(3-13)2-12-8(14)5(6)1-11/h2,7,13H,1,3,11H2,(H,12,14)
InChIKeyGOHNBMIPNHAGLX-UHFFFAOYSA-N
MW204.18 g/mol
LogP0.26
Rot. Bonds3

About 3-(aminomethyl)-4-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one

3-(aminomethyl)-4-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one (PubChem CID 130084595) has the molecular formula C8H10F2N2O2 and a molecular weight of 204.18 g/mol. Its IUPAC name is 3-(aminomethyl)-4-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(aminomethyl)-4-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one
PubChem CID130084595
Molecular FormulaC8H10F2N2O2
Molecular Weight204.18 g/mol
Exact Mass204.07
IUPAC Name3-(aminomethyl)-4-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one
SMILESNCc1c(C(F)F)c(CO)c[nH]c1=O
InChIInChI=1S/C8H10F2N2O2/c9-7(10)6-4(3-13)2-12-8(14)5(6)1-11/h2,7,13H,1,3,11H2,(H,12,14)
InChIKeyGOHNBMIPNHAGLX-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

methyl 2-[5-(aminomethyl)-4-(difluoromethyl)-6-oxo-1H-pyridin-3-yl]acetate
CID 133102943
3-(aminomethyl)-4-(difluoromethyl)-5-iodo-1H-pyridin-2-one
CID 130082587
3-(difluoromethyl)-4-fluoro-5-(hydroxymethyl)-1H-pyridin-2-one
CID 130079585
2-[5-amino-4-(difluoromethyl)-2-oxo-1H-pyridin-3-yl]acetic acid
CID 133093439
5-(aminomethyl)-4-(difluoromethyl)-3-iodo-1H-pyridin-2-one
CID 130082592
5-chloro-4-(difluoromethyl)-3-(hydroxymethyl)-1H-pyridin-2-one
CID 130072604
2-[5-(difluoromethyl)-4-fluoro-6-oxo-1H-pyridin-3-yl]acetic acid
CID 130079710
3-(difluoromethyl)-5-(hydroxymethyl)-4-methoxy-1H-pyridin-2-one
CID 130083413
3-(difluoromethyl)-5-fluoro-4-(hydroxymethyl)-1H-pyridin-2-one
CID 130079591
3-(aminomethyl)-5-(difluoromethyl)-4-fluoro-1H-pyridin-2-one
CID 130079387
4-(aminomethyl)-5-(difluoromethyl)-6-oxo-1H-pyridine-3-carbaldehyde
CID 130084648
3-amino-5-(difluoromethyl)-4-(hydroxymethyl)-1H-pyridin-2-one
CID 130104845

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-4-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one?
The IUPAC name of 3-(aminomethyl)-4-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one (CID 130084595) is 3-(aminomethyl)-4-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-(aminomethyl)-4-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one?
The canonical SMILES for 3-(aminomethyl)-4-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one is NCc1c(C(F)F)c(CO)c[nH]c1=O.
What is the InChIKey of 3-(aminomethyl)-4-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one?
The InChIKey is GOHNBMIPNHAGLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N2O2/c9-7(10)6-4(3-13)2-12-8(14)5(6)1-11/h2,7,13H,1,3,11H2,(H,12,14).
What are the key properties of 3-(aminomethyl)-4-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one?
3-(aminomethyl)-4-(difluoromethyl)-5-(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 3-(aminomethyl)-4-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one is sourced from PubChem (CID 130084595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).