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

C7H7BrF2N2O — CID 118803148

IUPAC6-(aminomethyl)-4-bromo-5-(difluoromethyl)-1H-pyridin-2-one
SMILESNCc1[nH]c(=O)cc(Br)c1C(F)F
InChIInChI=1S/C7H7BrF2N2O/c8-3-1-5(13)12-4(2-11)6(3)7(9)10/h1,7H,2,11H2,(H,12,13)
InChIKeyJVWMVUPXSNSWOL-UHFFFAOYSA-N
MW253.05 g/mol
LogP1.53
Rot. Bonds2

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

6-(aminomethyl)-4-bromo-5-(difluoromethyl)-1H-pyridin-2-one (PubChem CID 118803148) has the molecular formula C7H7BrF2N2O and a molecular weight of 253.05 g/mol. Its IUPAC name is 6-(aminomethyl)-4-bromo-5-(difluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(aminomethyl)-4-bromo-5-(difluoromethyl)-1H-pyridin-2-one
PubChem CID118803148
Molecular FormulaC7H7BrF2N2O
Molecular Weight253.05 g/mol
Exact Mass251.97
IUPAC Name6-(aminomethyl)-4-bromo-5-(difluoromethyl)-1H-pyridin-2-one
SMILESNCc1[nH]c(=O)cc(Br)c1C(F)F
InChIInChI=1S/C7H7BrF2N2O/c8-3-1-5(13)12-4(2-11)6(3)7(9)10/h1,7H,2,11H2,(H,12,13)
InChIKeyJVWMVUPXSNSWOL-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

4-(Aminomethyl)-6-(trifluoromethyl)pyridin-2-OL
CID 72216179
6-(Aminomethyl)-4-(trifluoromethyl)pyridin-2-OL
CID 72216096
6-(aminomethyl)-5-(trifluoromethyl)-1H-pyridin-2-one
CID 105445627
5-(aminomethyl)-6-(trifluoromethyl)-1H-pyridin-2-one
CID 112757198
4-Bromo-2-(difluoromethyl)-6-hydroxypyridine-3-carboxamide
CID 118799475
4-Bromo-5-(difluoromethyl)-6-(trifluoromethyl)pyridin-2-ol
CID 118806377
2-(Aminomethyl)-4-(difluoromethyl)-6-hydroxy-3-methylpyridine
CID 118808535
2-(Aminomethyl)-5-bromo-3-(difluoromethyl)-6-hydroxypyridine
CID 118808676
2-(Aminomethyl)-4-(difluoromethyl)-6-hydroxy-3-(trifluoromethyl)pyridine
CID 118808787
2-(Aminomethyl)-4-(difluoromethyl)-6-hydroxypyridine
CID 118808798
4-(Aminomethyl)-3-bromo-6-(difluoromethyl)pyridin-2-ol
CID 118812239
4-(Aminomethyl)-5-bromo-6-(difluoromethyl)pyridin-2-ol
CID 118812865

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-4-bromo-5-(difluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 6-(aminomethyl)-4-bromo-5-(difluoromethyl)-1H-pyridin-2-one (CID 118803148) is 6-(aminomethyl)-4-bromo-5-(difluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 6-(aminomethyl)-4-bromo-5-(difluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 6-(aminomethyl)-4-bromo-5-(difluoromethyl)-1H-pyridin-2-one is NCc1[nH]c(=O)cc(Br)c1C(F)F.
What is the InChIKey of 6-(aminomethyl)-4-bromo-5-(difluoromethyl)-1H-pyridin-2-one?
The InChIKey is JVWMVUPXSNSWOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrF2N2O/c8-3-1-5(13)12-4(2-11)6(3)7(9)10/h1,7H,2,11H2,(H,12,13).
What are the key properties of 6-(aminomethyl)-4-bromo-5-(difluoromethyl)-1H-pyridin-2-one?
6-(aminomethyl)-4-bromo-5-(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)-4-bromo-5-(difluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 118803148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).