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

C7H6BrF3N2 — CID 118992544

IUPAC3-(bromomethyl)-4-(difluoromethyl)-5-fluoropyridin-2-amine
SMILESNc1ncc(F)c(C(F)F)c1CBr
InChIInChI=1S/C7H6BrF3N2/c8-1-3-5(6(10)11)4(9)2-13-7(3)12/h2,6H,1H2,(H2,12,13)
InChIKeyMEZPLELCNNVUPI-UHFFFAOYSA-N
MW255.04 g/mol
LogP2.64
Rot. Bonds2

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

3-(bromomethyl)-4-(difluoromethyl)-5-fluoropyridin-2-amine (PubChem CID 118992544) has the molecular formula C7H6BrF3N2 and a molecular weight of 255.04 g/mol. Its IUPAC name is 3-(bromomethyl)-4-(difluoromethyl)-5-fluoropyridin-2-amine.

Molecular Properties

Compound Name3-(bromomethyl)-4-(difluoromethyl)-5-fluoropyridin-2-amine
PubChem CID118992544
Molecular FormulaC7H6BrF3N2
Molecular Weight255.04 g/mol
Exact Mass253.97
IUPAC Name3-(bromomethyl)-4-(difluoromethyl)-5-fluoropyridin-2-amine
SMILESNc1ncc(F)c(C(F)F)c1CBr
InChIInChI=1S/C7H6BrF3N2/c8-1-3-5(6(10)11)4(9)2-13-7(3)12/h2,6H,1H2,(H2,12,13)
InChIKeyMEZPLELCNNVUPI-UHFFFAOYSA-N
XLogP2.64
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.04
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-(bromomethyl)-4-(difluoromethyl)-5-fluoro-2-methoxypyridine
CID 130080624
3-(bromomethyl)-5-(difluoromethyl)pyridine-2,4-diamine
CID 130098692
[2-bromo-4-(difluoromethyl)-5-fluoro-3-pyridinyl]methanamine
CID 130109451
3-bromo-2-(bromomethyl)-4-(difluoromethyl)-5-fluoropyridine
CID 130109494
3-(difluoromethyl)-5-fluoro-4-methylpyridin-2-amine
CID 119000809
3-(bromomethyl)-4-(difluoromethyl)-5-fluoropyridine
CID 130096320
5-bromo-3-(difluoromethyl)-4-fluoropyridin-2-amine
CID 119016781
[2-amino-5-(bromomethyl)-3-(difluoromethyl)-4-pyridinyl]methanol
CID 119000297
2-bromo-3-(chloromethyl)-4-(difluoromethyl)-5-fluoropyridine
CID 119025086
5-(bromomethyl)-4-(difluoromethyl)-6-methylpyridin-3-amine
CID 130106341
2-[4-(bromomethyl)-3-(difluoromethyl)-5-fluoro-2-pyridinyl]acetonitrile
CID 130081801
[4-(difluoromethyl)-5-fluoro-2-(trifluoromethyl)-3-pyridinyl]methanol
CID 130082460

Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-4-(difluoromethyl)-5-fluoropyridin-2-amine?
The IUPAC name of 3-(bromomethyl)-4-(difluoromethyl)-5-fluoropyridin-2-amine (CID 118992544) is 3-(bromomethyl)-4-(difluoromethyl)-5-fluoropyridin-2-amine.
What is the SMILES notation for 3-(bromomethyl)-4-(difluoromethyl)-5-fluoropyridin-2-amine?
The canonical SMILES for 3-(bromomethyl)-4-(difluoromethyl)-5-fluoropyridin-2-amine is Nc1ncc(F)c(C(F)F)c1CBr.
What is the InChIKey of 3-(bromomethyl)-4-(difluoromethyl)-5-fluoropyridin-2-amine?
The InChIKey is MEZPLELCNNVUPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrF3N2/c8-1-3-5(6(10)11)4(9)2-13-7(3)12/h2,6H,1H2,(H2,12,13).
What are the key properties of 3-(bromomethyl)-4-(difluoromethyl)-5-fluoropyridin-2-amine?
3-(bromomethyl)-4-(difluoromethyl)-5-fluoropyridin-2-amine has a molecular weight of 255.04 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-4-(difluoromethyl)-5-fluoropyridin-2-amine is sourced from PubChem (CID 118992544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).