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

C7H6BrF3N2 — CID 130104035

IUPAC5-(bromomethyl)-4-(difluoromethyl)-2-fluoropyridin-3-amine
SMILESNc1c(F)ncc(CBr)c1C(F)F
InChIInChI=1S/C7H6BrF3N2/c8-1-3-2-13-7(11)5(12)4(3)6(9)10/h2,6H,1,12H2
InChIKeyNFPKMZIJQUQMDI-UHFFFAOYSA-N
MW255.04 g/mol
LogP2.64
Rot. Bonds2

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

5-(bromomethyl)-4-(difluoromethyl)-2-fluoropyridin-3-amine (PubChem CID 130104035) has the molecular formula C7H6BrF3N2 and a molecular weight of 255.04 g/mol. Its IUPAC name is 5-(bromomethyl)-4-(difluoromethyl)-2-fluoropyridin-3-amine.

Molecular Properties

Compound Name5-(bromomethyl)-4-(difluoromethyl)-2-fluoropyridin-3-amine
PubChem CID130104035
Molecular FormulaC7H6BrF3N2
Molecular Weight255.04 g/mol
Exact Mass253.97
IUPAC Name5-(bromomethyl)-4-(difluoromethyl)-2-fluoropyridin-3-amine
SMILESNc1c(F)ncc(CBr)c1C(F)F
InChIInChI=1S/C7H6BrF3N2/c8-1-3-2-13-7(11)5(12)4(3)6(9)10/h2,6H,1,12H2
InChIKeyNFPKMZIJQUQMDI-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': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 5-(bromomethyl)-4-(difluoromethyl)-2-fluoropyridin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-amino-5-(bromomethyl)-4-(difluoromethyl)-2-pyridinyl]methanol
CID 130107173
3-amino-5-(bromomethyl)-4-(difluoromethyl)pyridine-2-carbaldehyde
CID 130107224
5-(bromomethyl)-4-(difluoromethyl)-2-methoxypyridin-3-amine
CID 130105934
5-(bromomethyl)-4-(difluoromethyl)-2-fluoro-3-(trifluoromethyl)pyridine
CID 130081732
ethyl 5-(bromomethyl)-4-(difluoromethyl)-2-fluoropyridine-3-carboxylate
CID 133103882
4-amino-5-(bromomethyl)-3-(difluoromethyl)pyridine-2-carboxylic acid
CID 130107280
3-(bromomethyl)-4-(difluoromethyl)-5-fluoropyridine
CID 130096320
[2-amino-5-(bromomethyl)-3-(difluoromethyl)-4-pyridinyl]methanol
CID 119000297
2-amino-5-(bromomethyl)-3-(difluoromethyl)pyridine-4-carbaldehyde
CID 119003621
[4-amino-6-(bromomethyl)-5-(difluoromethyl)-3-pyridinyl]methanol
CID 130107177
ethyl 5-(bromomethyl)-4-(difluoromethyl)-3-fluoropyridine-2-carboxylate
CID 133103881
ethyl 2-[4-(bromomethyl)-5-(difluoromethyl)-6-fluoro-3-pyridinyl]acetate
CID 133104106

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-4-(difluoromethyl)-2-fluoropyridin-3-amine?
The IUPAC name of 5-(bromomethyl)-4-(difluoromethyl)-2-fluoropyridin-3-amine (CID 130104035) is 5-(bromomethyl)-4-(difluoromethyl)-2-fluoropyridin-3-amine.
What is the SMILES notation for 5-(bromomethyl)-4-(difluoromethyl)-2-fluoropyridin-3-amine?
The canonical SMILES for 5-(bromomethyl)-4-(difluoromethyl)-2-fluoropyridin-3-amine is Nc1c(F)ncc(CBr)c1C(F)F.
What is the InChIKey of 5-(bromomethyl)-4-(difluoromethyl)-2-fluoropyridin-3-amine?
The InChIKey is NFPKMZIJQUQMDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrF3N2/c8-1-3-2-13-7(11)5(12)4(3)6(9)10/h2,6H,1,12H2.
What are the key properties of 5-(bromomethyl)-4-(difluoromethyl)-2-fluoropyridin-3-amine?
5-(bromomethyl)-4-(difluoromethyl)-2-fluoropyridin-3-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 5-(bromomethyl)-4-(difluoromethyl)-2-fluoropyridin-3-amine is sourced from PubChem (CID 130104035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).