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

C7H7BrF2N2O — CID 118842546

IUPAC6-(aminomethyl)-5-bromo-3-(difluoromethyl)-1H-pyridin-2-one
SMILESNCc1[nH]c(=O)c(C(F)F)cc1Br
InChIInChI=1S/C7H7BrF2N2O/c8-4-1-3(6(9)10)7(13)12-5(4)2-11/h1,6H,2,11H2,(H,12,13)
InChIKeyDUBAWOHMJUQSEL-UHFFFAOYSA-N
MW253.05 g/mol
LogP1.53
Rot. Bonds2

About 6-(aminomethyl)-5-bromo-3-(difluoromethyl)-1H-pyridin-2-one

6-(aminomethyl)-5-bromo-3-(difluoromethyl)-1H-pyridin-2-one (PubChem CID 118842546) has the molecular formula C7H7BrF2N2O and a molecular weight of 253.05 g/mol. Its IUPAC name is 6-(aminomethyl)-5-bromo-3-(difluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(aminomethyl)-5-bromo-3-(difluoromethyl)-1H-pyridin-2-one
PubChem CID118842546
Molecular FormulaC7H7BrF2N2O
Molecular Weight253.05 g/mol
Exact Mass251.97
IUPAC Name6-(aminomethyl)-5-bromo-3-(difluoromethyl)-1H-pyridin-2-one
SMILESNCc1[nH]c(=O)c(C(F)F)cc1Br
InChIInChI=1S/C7H7BrF2N2O/c8-4-1-3(6(9)10)7(13)12-5(4)2-11/h1,6H,2,11H2,(H,12,13)
InChIKeyDUBAWOHMJUQSEL-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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Related Compounds

5-bromo-6-(difluoromethyl)-3-methyl-1H-pyridin-2-one
CID 68505612
5-Bromo-3-methyl-1-[2-(2,2,2-trifluoroethylamino)ethyl]pyridin-2-one
CID 83133226
6-(aminomethyl)-3-(trifluoromethyl)-1H-pyridin-2-one
CID 105445629
5-amino-3-(aminomethyl)-6-(trifluoromethyl)-1H-pyridin-2-one
CID 105459818
5-bromo-6-methyl-3-(trifluoromethyl)-1H-pyridin-2-one
CID 105511258
3-(aminomethyl)-5-bromo-6-(trifluoromethyl)-1H-pyridin-2-one
CID 105518659
2-(Aminomethyl)-5-(difluoromethyl)-3-fluoro-6-hydroxypyridine
CID 118802980
2-(Aminomethyl)-3-chloro-5-(difluoromethyl)-6-hydroxypyridine
CID 118803101
2-(Aminomethyl)-4-bromo-3-(difluoromethyl)-6-hydroxypyridine
CID 118803148
4-Bromo-3-(difluoromethyl)-2-hydroxypyridine-6-carboxamide
CID 118804786
2-(Aminomethyl)-5-bromo-3-(difluoromethyl)-6-hydroxypyridine
CID 118808676
4-Amino-6-(aminomethyl)-3-(difluoromethyl)pyridin-2-ol
CID 118822214

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-5-bromo-3-(difluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 6-(aminomethyl)-5-bromo-3-(difluoromethyl)-1H-pyridin-2-one (CID 118842546) is 6-(aminomethyl)-5-bromo-3-(difluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 6-(aminomethyl)-5-bromo-3-(difluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 6-(aminomethyl)-5-bromo-3-(difluoromethyl)-1H-pyridin-2-one is NCc1[nH]c(=O)c(C(F)F)cc1Br.
What is the InChIKey of 6-(aminomethyl)-5-bromo-3-(difluoromethyl)-1H-pyridin-2-one?
The InChIKey is DUBAWOHMJUQSEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrF2N2O/c8-4-1-3(6(9)10)7(13)12-5(4)2-11/h1,6H,2,11H2,(H,12,13).
What are the key properties of 6-(aminomethyl)-5-bromo-3-(difluoromethyl)-1H-pyridin-2-one?
6-(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 6-(aminomethyl)-5-bromo-3-(difluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 118842546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).