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

C7H7BrF2N2 — CID 130094718

IUPAC4-(bromomethyl)-2-(difluoromethyl)pyridin-3-amine
SMILESNc1c(CBr)ccnc1C(F)F
InChIInChI=1S/C7H7BrF2N2/c8-3-4-1-2-12-6(5(4)11)7(9)10/h1-2,7H,3,11H2
InChIKeyLFAJMQOHRXKIQO-UHFFFAOYSA-N
MW237.05 g/mol
LogP2.50
Rot. Bonds2

About 4-(bromomethyl)-2-(difluoromethyl)pyridin-3-amine

4-(bromomethyl)-2-(difluoromethyl)pyridin-3-amine (PubChem CID 130094718) has the molecular formula C7H7BrF2N2 and a molecular weight of 237.05 g/mol. Its IUPAC name is 4-(bromomethyl)-2-(difluoromethyl)pyridin-3-amine.

Molecular Properties

Compound Name4-(bromomethyl)-2-(difluoromethyl)pyridin-3-amine
PubChem CID130094718
Molecular FormulaC7H7BrF2N2
Molecular Weight237.05 g/mol
Exact Mass235.98
IUPAC Name4-(bromomethyl)-2-(difluoromethyl)pyridin-3-amine
SMILESNc1c(CBr)ccnc1C(F)F
InChIInChI=1S/C7H7BrF2N2/c8-3-4-1-2-12-6(5(4)11)7(9)10/h1-2,7H,3,11H2
InChIKeyLFAJMQOHRXKIQO-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

methyl 3-amino-2-(difluoromethyl)pyridine-4-carboxylate
CID 130094864
4-(bromomethyl)-2-(difluoromethyl)-5-methylpyridin-3-amine
CID 130106332
4-(bromomethyl)-2-(difluoromethyl)-5-iodopyridin-3-amine
CID 130105305
4-[(dimethylamino)methyl]-2-propan-2-ylpyridin-3-amine
CID 166870493
4-(aminomethyl)-2-(difluoromethyl)pyridin-3-ol
CID 130097022
3-(bromomethyl)-2-(difluoromethyl)-4-methoxypyridine
CID 130097365
[2-(difluoromethyl)-3-(trifluoromethyl)-4-pyridinyl]methanamine
CID 118818433
5-(bromomethyl)-4-(difluoromethyl)-2-fluoropyridin-3-amine
CID 130104035
2-(difluoromethyl)-3-(fluoromethyl)-4-iodopyridine
CID 130096732
2-(difluoromethyl)-4-(fluoromethyl)pyridin-3-ol
CID 130097081
3-chloro-4-(chloromethyl)-2-(difluoromethyl)pyridine
CID 130095522
2-(difluoromethyl)-4-(hydroxymethyl)pyridin-3-ol
CID 118820346

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-2-(difluoromethyl)pyridin-3-amine?
The IUPAC name of 4-(bromomethyl)-2-(difluoromethyl)pyridin-3-amine (CID 130094718) is 4-(bromomethyl)-2-(difluoromethyl)pyridin-3-amine.
What is the SMILES notation for 4-(bromomethyl)-2-(difluoromethyl)pyridin-3-amine?
The canonical SMILES for 4-(bromomethyl)-2-(difluoromethyl)pyridin-3-amine is Nc1c(CBr)ccnc1C(F)F.
What is the InChIKey of 4-(bromomethyl)-2-(difluoromethyl)pyridin-3-amine?
The InChIKey is LFAJMQOHRXKIQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrF2N2/c8-3-4-1-2-12-6(5(4)11)7(9)10/h1-2,7H,3,11H2.
What are the key properties of 4-(bromomethyl)-2-(difluoromethyl)pyridin-3-amine?
4-(bromomethyl)-2-(difluoromethyl)pyridin-3-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 4-(bromomethyl)-2-(difluoromethyl)pyridin-3-amine is sourced from PubChem (CID 130094718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).