5-bromo-3-(difluoromethyl)-4-fluoropyridin-2-amine

C6H4BrF3N2 — CID 119016781

IUPAC5-bromo-3-(difluoromethyl)-4-fluoropyridin-2-amine
SMILESNc1ncc(Br)c(F)c1C(F)F
InChIInChI=1S/C6H4BrF3N2/c7-2-1-12-6(11)3(4(2)8)5(9)10/h1,5H,(H2,11,12)
InChIKeyRCGSIMSVMLUMKZ-UHFFFAOYSA-N
MW241.01 g/mol
LogP2.50
Rot. Bonds1

About 5-bromo-3-(difluoromethyl)-4-fluoropyridin-2-amine

5-bromo-3-(difluoromethyl)-4-fluoropyridin-2-amine (PubChem CID 119016781) has the molecular formula C6H4BrF3N2 and a molecular weight of 241.01 g/mol. Its IUPAC name is 5-bromo-3-(difluoromethyl)-4-fluoropyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-(difluoromethyl)-4-fluoropyridin-2-amine
PubChem CID119016781
Molecular FormulaC6H4BrF3N2
Molecular Weight241.01 g/mol
Exact Mass239.95
IUPAC Name5-bromo-3-(difluoromethyl)-4-fluoropyridin-2-amine
SMILESNc1ncc(Br)c(F)c1C(F)F
InChIInChI=1S/C6H4BrF3N2/c7-2-1-12-6(11)3(4(2)8)5(9)10/h1,5H,(H2,11,12)
InChIKeyRCGSIMSVMLUMKZ-UHFFFAOYSA-N
XLogP2.50
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.01
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-3-(difluoromethyl)-4-fluoro-2-methylpyridine
CID 130109403
2-amino-5-bromo-4-(difluoromethyl)pyridin-3-ol
CID 130101681
[2-amino-5-bromo-3-(difluoromethyl)-4-pyridinyl]methanol
CID 130102040
2-amino-5-bromo-4-fluoropyridin-3-ol
CID 21436673
6-amino-5-(difluoromethyl)-4-fluoropyridine-3-carbonitrile
CID 119020377
6-amino-5-(difluoromethyl)-4-fluoropyridine-3-carboxylic acid
CID 119006652
3-(bromomethyl)-4-(difluoromethyl)-5-fluoropyridin-2-amine
CID 118992544
[5-bromo-4-(difluoromethyl)-3-fluoro-2-pyridinyl]methanamine
CID 118831229
3-(difluoromethyl)-5-fluoro-4-methylpyridin-2-amine
CID 119000809
5-bromo-4-(difluoromethyl)-3-fluoropyridine-2-sulfonamide
CID 130109962
[6-amino-4-bromo-5-(difluoromethyl)-3-pyridinyl]methanol
CID 118991598
4-bromo-2-(difluoromethyl)-3-fluoroaniline
CID 175669840

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(difluoromethyl)-4-fluoropyridin-2-amine?
The IUPAC name of 5-bromo-3-(difluoromethyl)-4-fluoropyridin-2-amine (CID 119016781) is 5-bromo-3-(difluoromethyl)-4-fluoropyridin-2-amine.
What is the SMILES notation for 5-bromo-3-(difluoromethyl)-4-fluoropyridin-2-amine?
The canonical SMILES for 5-bromo-3-(difluoromethyl)-4-fluoropyridin-2-amine is Nc1ncc(Br)c(F)c1C(F)F.
What is the InChIKey of 5-bromo-3-(difluoromethyl)-4-fluoropyridin-2-amine?
The InChIKey is RCGSIMSVMLUMKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrF3N2/c7-2-1-12-6(11)3(4(2)8)5(9)10/h1,5H,(H2,11,12).
What are the key properties of 5-bromo-3-(difluoromethyl)-4-fluoropyridin-2-amine?
5-bromo-3-(difluoromethyl)-4-fluoropyridin-2-amine has a molecular weight of 241.01 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(difluoromethyl)-4-fluoropyridin-2-amine is sourced from PubChem (CID 119016781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).