3-(bromomethyl)-5-(difluoromethyl)pyridin-2-amine

C7H7BrF2N2 — CID 119014885

IUPAC3-(bromomethyl)-5-(difluoromethyl)pyridin-2-amine
SMILESNc1ncc(C(F)F)cc1CBr
InChIInChI=1S/C7H7BrF2N2/c8-2-4-1-5(6(9)10)3-12-7(4)11/h1,3,6H,2H2,(H2,11,12)
InChIKeyQHICSRHDDAEYGD-UHFFFAOYSA-N
MW237.05 g/mol
LogP2.50
Rot. Bonds2

About 3-(bromomethyl)-5-(difluoromethyl)pyridin-2-amine

3-(bromomethyl)-5-(difluoromethyl)pyridin-2-amine (PubChem CID 119014885) has the molecular formula C7H7BrF2N2 and a molecular weight of 237.05 g/mol. Its IUPAC name is 3-(bromomethyl)-5-(difluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-(bromomethyl)-5-(difluoromethyl)pyridin-2-amine
PubChem CID119014885
Molecular FormulaC7H7BrF2N2
Molecular Weight237.05 g/mol
Exact Mass235.98
IUPAC Name3-(bromomethyl)-5-(difluoromethyl)pyridin-2-amine
SMILESNc1ncc(C(F)F)cc1CBr
InChIInChI=1S/C7H7BrF2N2/c8-2-4-1-5(6(9)10)3-12-7(4)11/h1,3,6H,2H2,(H2,11,12)
InChIKeyQHICSRHDDAEYGD-UHFFFAOYSA-N
XLogP2.50
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.05
LogP ≤ 52.50
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)-5-fluoropyridin-2-amine
CID 133061593
ethyl 2-[3-(bromomethyl)-5-(difluoromethyl)-2-pyridinyl]acetate
CID 134672922
2-amino-5-(bromomethyl)-3-(difluoromethyl)pyridine-4-carbaldehyde
CID 119003621
[2-amino-5-(bromomethyl)-3-(difluoromethyl)-4-pyridinyl]methanol
CID 119000297
3-(bromomethyl)-5-(difluoromethyl)pyridine-2,4-diamine
CID 130098692
3-(aminomethyl)-5-(difluoromethyl)pyridine-2-carbonitrile
CID 130095901
3-(bromomethyl)-4-(difluoromethyl)-5-fluoropyridin-2-amine
CID 118992544
5-(difluoromethyl)-3-(fluoromethyl)-2-nitropyridine
CID 130097943
3-(aminomethyl)-5-(difluoromethyl)pyridine-2-carboxylic acid
CID 130098067
5-(bromomethyl)-4-(difluoromethyl)-2-fluoropyridin-3-amine
CID 130104035
4-(bromomethyl)-3-(difluoromethyl)-6-iodopyridin-2-amine
CID 118995900
4-(bromomethyl)-6-(difluoromethyl)-3-fluoropyridin-2-amine
CID 118999277

Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-5-(difluoromethyl)pyridin-2-amine?
The IUPAC name of 3-(bromomethyl)-5-(difluoromethyl)pyridin-2-amine (CID 119014885) is 3-(bromomethyl)-5-(difluoromethyl)pyridin-2-amine.
What is the SMILES notation for 3-(bromomethyl)-5-(difluoromethyl)pyridin-2-amine?
The canonical SMILES for 3-(bromomethyl)-5-(difluoromethyl)pyridin-2-amine is Nc1ncc(C(F)F)cc1CBr.
What is the InChIKey of 3-(bromomethyl)-5-(difluoromethyl)pyridin-2-amine?
The InChIKey is QHICSRHDDAEYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrF2N2/c8-2-4-1-5(6(9)10)3-12-7(4)11/h1,3,6H,2H2,(H2,11,12).
What are the key properties of 3-(bromomethyl)-5-(difluoromethyl)pyridin-2-amine?
3-(bromomethyl)-5-(difluoromethyl)pyridin-2-amine has a molecular weight of 237.05 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-5-(difluoromethyl)pyridin-2-amine is sourced from PubChem (CID 119014885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).