4-(bromomethyl)-6-(difluoromethyl)-3-fluoropyridin-2-amine

C7H6BrF3N2 — CID 118999277

IUPAC4-(bromomethyl)-6-(difluoromethyl)-3-fluoropyridin-2-amine
SMILESNc1nc(C(F)F)cc(CBr)c1F
InChIInChI=1S/C7H6BrF3N2/c8-2-3-1-4(6(10)11)13-7(12)5(3)9/h1,6H,2H2,(H2,12,13)
InChIKeySPRJSJULMLQSDD-UHFFFAOYSA-N
MW255.04 g/mol
LogP2.64
Rot. Bonds2

About 4-(bromomethyl)-6-(difluoromethyl)-3-fluoropyridin-2-amine

4-(bromomethyl)-6-(difluoromethyl)-3-fluoropyridin-2-amine (PubChem CID 118999277) has the molecular formula C7H6BrF3N2 and a molecular weight of 255.04 g/mol. Its IUPAC name is 4-(bromomethyl)-6-(difluoromethyl)-3-fluoropyridin-2-amine.

Molecular Properties

Compound Name4-(bromomethyl)-6-(difluoromethyl)-3-fluoropyridin-2-amine
PubChem CID118999277
Molecular FormulaC7H6BrF3N2
Molecular Weight255.04 g/mol
Exact Mass253.97
IUPAC Name4-(bromomethyl)-6-(difluoromethyl)-3-fluoropyridin-2-amine
SMILESNc1nc(C(F)F)cc(CBr)c1F
InChIInChI=1S/C7H6BrF3N2/c8-2-3-1-4(6(10)11)13-7(12)5(3)9/h1,6H,2H2,(H2,12,13)
InChIKeySPRJSJULMLQSDD-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

4-(bromomethyl)-6-(difluoromethyl)-3-iodopyridin-2-amine
CID 119010652
6-(difluoromethyl)-3-fluoro-4-(trifluoromethyl)pyridin-2-amine
CID 119007069
4-bromo-3-chloro-6-(difluoromethyl)pyridin-2-amine
CID 118995060
4-(aminomethyl)-6-(difluoromethyl)-3-(trifluoromethoxy)pyridin-2-amine
CID 119011988
3-(aminomethyl)-6-(difluoromethyl)-4-fluoropyridin-2-amine
CID 119000355
4-(bromomethyl)-2-(difluoromethyl)-6-fluoro-3-iodopyridine
CID 130080031
3-bromo-4-(bromomethyl)-6-(difluoromethyl)pyridine-2-carbonitrile
CID 130108807
4-(aminomethyl)-2-bromo-6-(difluoromethyl)pyridin-3-amine
CID 130101865
[6-(difluoromethyl)-3-fluoro-2-methyl-4-pyridinyl]methanamine
CID 118834888
4-(bromomethyl)-3-(difluoromethyl)-6-iodopyridin-2-amine
CID 118995900
4-(bromomethyl)-2-chloro-3-(difluoromethyl)-6-fluoropyridine
CID 130071761
2-(bromomethyl)-6-(difluoromethyl)-4-fluoropyridine
CID 130096314

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-6-(difluoromethyl)-3-fluoropyridin-2-amine?
The IUPAC name of 4-(bromomethyl)-6-(difluoromethyl)-3-fluoropyridin-2-amine (CID 118999277) is 4-(bromomethyl)-6-(difluoromethyl)-3-fluoropyridin-2-amine.
What is the SMILES notation for 4-(bromomethyl)-6-(difluoromethyl)-3-fluoropyridin-2-amine?
The canonical SMILES for 4-(bromomethyl)-6-(difluoromethyl)-3-fluoropyridin-2-amine is Nc1nc(C(F)F)cc(CBr)c1F.
What is the InChIKey of 4-(bromomethyl)-6-(difluoromethyl)-3-fluoropyridin-2-amine?
The InChIKey is SPRJSJULMLQSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrF3N2/c8-2-3-1-4(6(10)11)13-7(12)5(3)9/h1,6H,2H2,(H2,12,13).
What are the key properties of 4-(bromomethyl)-6-(difluoromethyl)-3-fluoropyridin-2-amine?
4-(bromomethyl)-6-(difluoromethyl)-3-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 4-(bromomethyl)-6-(difluoromethyl)-3-fluoropyridin-2-amine is sourced from PubChem (CID 118999277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).