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

C8H10F2N2O — CID 118808535

IUPAC6-(aminomethyl)-4-(difluoromethyl)-5-methyl-1H-pyridin-2-one
SMILESCc1c(C(F)F)cc(=O)[nH]c1CN
InChIInChI=1S/C8H10F2N2O/c1-4-5(8(9)10)2-7(13)12-6(4)3-11/h2,8H,3,11H2,1H3,(H,12,13)
InChIKeyZOSSOVTZNYMSJV-UHFFFAOYSA-N
MW188.18 g/mol
LogP1.08
Rot. Bonds2

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

6-(aminomethyl)-4-(difluoromethyl)-5-methyl-1H-pyridin-2-one (PubChem CID 118808535) has the molecular formula C8H10F2N2O and a molecular weight of 188.18 g/mol. Its IUPAC name is 6-(aminomethyl)-4-(difluoromethyl)-5-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(aminomethyl)-4-(difluoromethyl)-5-methyl-1H-pyridin-2-one
PubChem CID118808535
Molecular FormulaC8H10F2N2O
Molecular Weight188.18 g/mol
Exact Mass188.08
IUPAC Name6-(aminomethyl)-4-(difluoromethyl)-5-methyl-1H-pyridin-2-one
SMILESCc1c(C(F)F)cc(=O)[nH]c1CN
InChIInChI=1S/C8H10F2N2O/c1-4-5(8(9)10)2-7(13)12-6(4)3-11/h2,8H,3,11H2,1H3,(H,12,13)
InChIKeyZOSSOVTZNYMSJV-UHFFFAOYSA-N
XLogP1.08
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-4-(difluoromethyl)-6-oxo-1H-pyridine-3-carbaldehyde
CID 118842576
6-bromo-4-(difluoromethyl)-5-methyl-1H-pyridin-2-one
CID 130110088
5-amino-6-(bromomethyl)-4-(difluoromethyl)-1H-pyridin-2-one
CID 130104680
6-(aminomethyl)-5-(difluoromethyl)-3-iodo-1H-pyridin-2-one
CID 118847990
4-amino-6-(difluoromethyl)-5-methyl-1H-pyridin-2-one
CID 118817701
6-(aminomethyl)-5-(difluoromethyl)-4-(hydroxymethyl)-1H-pyridin-2-one
CID 118808520
6-(aminomethyl)-5-(difluoromethyl)-4-(trifluoromethyl)-1H-pyridin-2-one
CID 118853573
ethyl 2-[2-(aminomethyl)-3-(difluoromethyl)-6-oxo-1H-pyridin-4-yl]acetate
CID 133102959
2-[3-amino-4-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetic acid
CID 133093438
5-chloro-4-(difluoromethyl)-6-methyl-1H-pyridin-2-one
CID 130072325
5-bromo-6-(chloromethyl)-4-(difluoromethyl)-1H-pyridin-2-one
CID 130110248
ethyl 4-(difluoromethyl)-3-iodo-6-oxo-1H-pyridine-2-carboxylate
CID 133103721

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-4-(difluoromethyl)-5-methyl-1H-pyridin-2-one?
The IUPAC name of 6-(aminomethyl)-4-(difluoromethyl)-5-methyl-1H-pyridin-2-one (CID 118808535) is 6-(aminomethyl)-4-(difluoromethyl)-5-methyl-1H-pyridin-2-one.
What is the SMILES notation for 6-(aminomethyl)-4-(difluoromethyl)-5-methyl-1H-pyridin-2-one?
The canonical SMILES for 6-(aminomethyl)-4-(difluoromethyl)-5-methyl-1H-pyridin-2-one is Cc1c(C(F)F)cc(=O)[nH]c1CN.
What is the InChIKey of 6-(aminomethyl)-4-(difluoromethyl)-5-methyl-1H-pyridin-2-one?
The InChIKey is ZOSSOVTZNYMSJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N2O/c1-4-5(8(9)10)2-7(13)12-6(4)3-11/h2,8H,3,11H2,1H3,(H,12,13).
What are the key properties of 6-(aminomethyl)-4-(difluoromethyl)-5-methyl-1H-pyridin-2-one?
6-(aminomethyl)-4-(difluoromethyl)-5-methyl-1H-pyridin-2-one has a molecular weight of 188.18 g/mol, XLogP of 1.08, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-4-(difluoromethyl)-5-methyl-1H-pyridin-2-one is sourced from PubChem (CID 118808535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).