[4-bromo-3-(difluoromethyl)-6-fluoro-2-pyridinyl]methanamine

C7H6BrF3N2 — CID 118803186

IUPAC[4-bromo-3-(difluoromethyl)-6-fluoro-2-pyridinyl]methanamine
SMILESNCc1nc(F)cc(Br)c1C(F)F
InChIInChI=1S/C7H6BrF3N2/c8-3-1-5(9)13-4(2-12)6(3)7(10)11/h1,7H,2,12H2
InChIKeyMZBKZIABHKYTLY-UHFFFAOYSA-N
MW255.04 g/mol
LogP2.38
Rot. Bonds2

About [4-bromo-3-(difluoromethyl)-6-fluoro-2-pyridinyl]methanamine

[4-bromo-3-(difluoromethyl)-6-fluoro-2-pyridinyl]methanamine (PubChem CID 118803186) has the molecular formula C7H6BrF3N2 and a molecular weight of 255.04 g/mol. Its IUPAC name is [4-bromo-3-(difluoromethyl)-6-fluoro-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[4-bromo-3-(difluoromethyl)-6-fluoro-2-pyridinyl]methanamine
PubChem CID118803186
Molecular FormulaC7H6BrF3N2
Molecular Weight255.04 g/mol
Exact Mass253.97
IUPAC Name[4-bromo-3-(difluoromethyl)-6-fluoro-2-pyridinyl]methanamine
SMILESNCc1nc(F)cc(Br)c1C(F)F
InChIInChI=1S/C7H6BrF3N2/c8-3-1-5(9)13-4(2-12)6(3)7(10)11/h1,7H,2,12H2
InChIKeyMZBKZIABHKYTLY-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

6-(aminomethyl)-4-bromo-5-(difluoromethyl)pyridin-2-amine
CID 130101856
2,4-dibromo-3-(difluoromethyl)-6-fluoropyridine
CID 118998950
4-bromo-3-(difluoromethyl)-2,6-difluoropyridine
CID 118806244
[3-bromo-2-(difluoromethyl)-6-fluoro-4-pyridinyl]methanamine
CID 118823517
2-[6-(aminomethyl)-4-bromo-3-(difluoromethyl)-2-pyridinyl]acetonitrile
CID 130070026
[5-bromo-4-(difluoromethyl)-3-fluoro-2-pyridinyl]methanamine
CID 118831229
[4-bromo-6-(difluoromethyl)-3-fluoro-2-pyridinyl]methanamine
CID 118808600
ethyl 2-[2-(aminomethyl)-3-(difluoromethyl)-6-fluoro-4-pyridinyl]acetate
CID 133104669
(3-bromo-6-fluoro-2-pyridinyl)methanamine
CID 104546703
6-(aminomethyl)-5-(difluoromethyl)-4-fluoropyridine-2-carbaldehyde
CID 118831095
[3-(difluoromethyl)-4-fluoro-6-methoxy-2-pyridinyl]methanamine
CID 118848151
[5-bromo-4-(difluoromethyl)-3-iodo-2-pyridinyl]methanamine
CID 118836836

Frequently Asked Questions

What is the IUPAC name of [4-bromo-3-(difluoromethyl)-6-fluoro-2-pyridinyl]methanamine?
The IUPAC name of [4-bromo-3-(difluoromethyl)-6-fluoro-2-pyridinyl]methanamine (CID 118803186) is [4-bromo-3-(difluoromethyl)-6-fluoro-2-pyridinyl]methanamine.
What is the SMILES notation for [4-bromo-3-(difluoromethyl)-6-fluoro-2-pyridinyl]methanamine?
The canonical SMILES for [4-bromo-3-(difluoromethyl)-6-fluoro-2-pyridinyl]methanamine is NCc1nc(F)cc(Br)c1C(F)F.
What is the InChIKey of [4-bromo-3-(difluoromethyl)-6-fluoro-2-pyridinyl]methanamine?
The InChIKey is MZBKZIABHKYTLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrF3N2/c8-3-1-5(9)13-4(2-12)6(3)7(10)11/h1,7H,2,12H2.
What are the key properties of [4-bromo-3-(difluoromethyl)-6-fluoro-2-pyridinyl]methanamine?
[4-bromo-3-(difluoromethyl)-6-fluoro-2-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 [4-bromo-3-(difluoromethyl)-6-fluoro-2-pyridinyl]methanamine is sourced from PubChem (CID 118803186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).