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

C7H7BrF2N2O — CID 118812294

IUPAC4-(aminomethyl)-5-bromo-3-(difluoromethyl)-1H-pyridin-2-one
SMILESNCc1c(Br)c[nH]c(=O)c1C(F)F
InChIInChI=1S/C7H7BrF2N2O/c8-4-2-12-7(13)5(6(9)10)3(4)1-11/h2,6H,1,11H2,(H,12,13)
InChIKeyDIDCQVZBTYYEFW-UHFFFAOYSA-N
MW253.05 g/mol
LogP1.53
Rot. Bonds2

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

4-(aminomethyl)-5-bromo-3-(difluoromethyl)-1H-pyridin-2-one (PubChem CID 118812294) has the molecular formula C7H7BrF2N2O and a molecular weight of 253.05 g/mol. Its IUPAC name is 4-(aminomethyl)-5-bromo-3-(difluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(aminomethyl)-5-bromo-3-(difluoromethyl)-1H-pyridin-2-one
PubChem CID118812294
Molecular FormulaC7H7BrF2N2O
Molecular Weight253.05 g/mol
Exact Mass251.97
IUPAC Name4-(aminomethyl)-5-bromo-3-(difluoromethyl)-1H-pyridin-2-one
SMILESNCc1c(Br)c[nH]c(=O)c1C(F)F
InChIInChI=1S/C7H7BrF2N2O/c8-4-2-12-7(13)5(6(9)10)3(4)1-11/h2,6H,1,11H2,(H,12,13)
InChIKeyDIDCQVZBTYYEFW-UHFFFAOYSA-N
XLogP1.53
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.05
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-5-bromo-3-(difluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 4-(aminomethyl)-5-bromo-3-(difluoromethyl)-1H-pyridin-2-one (CID 118812294) is 4-(aminomethyl)-5-bromo-3-(difluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 4-(aminomethyl)-5-bromo-3-(difluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 4-(aminomethyl)-5-bromo-3-(difluoromethyl)-1H-pyridin-2-one is NCc1c(Br)c[nH]c(=O)c1C(F)F.
What is the InChIKey of 4-(aminomethyl)-5-bromo-3-(difluoromethyl)-1H-pyridin-2-one?
The InChIKey is DIDCQVZBTYYEFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrF2N2O/c8-4-2-12-7(13)5(6(9)10)3(4)1-11/h2,6H,1,11H2,(H,12,13).
What are the key properties of 4-(aminomethyl)-5-bromo-3-(difluoromethyl)-1H-pyridin-2-one?
4-(aminomethyl)-5-bromo-3-(difluoromethyl)-1H-pyridin-2-one has a molecular weight of 253.05 g/mol, XLogP of 1.53, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-5-bromo-3-(difluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 118812294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).