[2-bromo-4-(difluoromethyl)-5-fluoro-3-pyridinyl]methanamine

C7H6BrF3N2 — CID 130109451

IUPAC[2-bromo-4-(difluoromethyl)-5-fluoro-3-pyridinyl]methanamine
SMILESNCc1c(Br)ncc(F)c1C(F)F
InChIInChI=1S/C7H6BrF3N2/c8-6-3(1-12)5(7(10)11)4(9)2-13-6/h2,7H,1,12H2
InChIKeyTVIWFSZMJQUGFF-UHFFFAOYSA-N
MW255.04 g/mol
LogP2.38
Rot. Bonds2

About [2-bromo-4-(difluoromethyl)-5-fluoro-3-pyridinyl]methanamine

[2-bromo-4-(difluoromethyl)-5-fluoro-3-pyridinyl]methanamine (PubChem CID 130109451) has the molecular formula C7H6BrF3N2 and a molecular weight of 255.04 g/mol. Its IUPAC name is [2-bromo-4-(difluoromethyl)-5-fluoro-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-bromo-4-(difluoromethyl)-5-fluoro-3-pyridinyl]methanamine
PubChem CID130109451
Molecular FormulaC7H6BrF3N2
Molecular Weight255.04 g/mol
Exact Mass253.97
IUPAC Name[2-bromo-4-(difluoromethyl)-5-fluoro-3-pyridinyl]methanamine
SMILESNCc1c(Br)ncc(F)c1C(F)F
InChIInChI=1S/C7H6BrF3N2/c8-6-3(1-12)5(7(10)11)4(9)2-13-6/h2,7H,1,12H2
InChIKeyTVIWFSZMJQUGFF-UHFFFAOYSA-N
XLogP2.38
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 ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-bromo-3-(chloromethyl)-4-(difluoromethyl)-5-fluoropyridine
CID 119025086
3-(bromomethyl)-4-(difluoromethyl)-5-fluoropyridin-2-amine
CID 118992544
methyl 5-(aminomethyl)-6-bromo-4-(difluoromethyl)pyridine-3-carboxylate
CID 134675414
[4-(difluoromethyl)-3,5-difluoro-2-pyridinyl]methanamine
CID 130099744
4-(aminomethyl)-6-bromo-5-(difluoromethyl)pyridine-3-carboxylic acid
CID 130070162
methyl 3-(aminomethyl)-4-(difluoromethyl)-5-fluoropyridine-2-carboxylate
CID 133104277
2-[4-(aminomethyl)-6-bromo-5-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 130070050
[5-bromo-3-(difluoromethyl)-2-iodo-4-pyridinyl]methanamine
CID 118817949
5-(aminomethyl)-2-bromo-3-(difluoromethyl)pyridine-4-carboxylic acid
CID 130070168
3-bromo-2-(bromomethyl)-4-(difluoromethyl)-5-fluoropyridine
CID 130109494
5-(aminomethyl)-4-(difluoromethyl)-6-fluoropyridin-3-amine
CID 130104000
4-(aminomethyl)-2-bromo-5-(difluoromethyl)pyridine-3-carbonitrile
CID 118829842

Frequently Asked Questions

What is the IUPAC name of [2-bromo-4-(difluoromethyl)-5-fluoro-3-pyridinyl]methanamine?
The IUPAC name of [2-bromo-4-(difluoromethyl)-5-fluoro-3-pyridinyl]methanamine (CID 130109451) is [2-bromo-4-(difluoromethyl)-5-fluoro-3-pyridinyl]methanamine.
What is the SMILES notation for [2-bromo-4-(difluoromethyl)-5-fluoro-3-pyridinyl]methanamine?
The canonical SMILES for [2-bromo-4-(difluoromethyl)-5-fluoro-3-pyridinyl]methanamine is NCc1c(Br)ncc(F)c1C(F)F.
What is the InChIKey of [2-bromo-4-(difluoromethyl)-5-fluoro-3-pyridinyl]methanamine?
The InChIKey is TVIWFSZMJQUGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrF3N2/c8-6-3(1-12)5(7(10)11)4(9)2-13-6/h2,7H,1,12H2.
What are the key properties of [2-bromo-4-(difluoromethyl)-5-fluoro-3-pyridinyl]methanamine?
[2-bromo-4-(difluoromethyl)-5-fluoro-3-pyridinyl]methanamine has a molecular weight of 255.04 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-bromo-4-(difluoromethyl)-5-fluoro-3-pyridinyl]methanamine is sourced from PubChem (CID 130109451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).