[5-(difluoromethyl)-6-fluoro-2-(trifluoromethyl)-3-pyridinyl]methanamine

C8H6F6N2 — CID 130081564

IUPAC[5-(difluoromethyl)-6-fluoro-2-(trifluoromethyl)-3-pyridinyl]methanamine
SMILESNCc1cc(C(F)F)c(F)nc1C(F)(F)F
InChIInChI=1S/C8H6F6N2/c9-6(10)4-1-3(2-15)5(8(12,13)14)16-7(4)11/h1,6H,2,15H2
InChIKeyFRYPWSPWUTYKCF-UHFFFAOYSA-N
MW244.14 g/mol
LogP2.64
Rot. Bonds2

About [5-(difluoromethyl)-6-fluoro-2-(trifluoromethyl)-3-pyridinyl]methanamine

[5-(difluoromethyl)-6-fluoro-2-(trifluoromethyl)-3-pyridinyl]methanamine (PubChem CID 130081564) has the molecular formula C8H6F6N2 and a molecular weight of 244.14 g/mol. Its IUPAC name is [5-(difluoromethyl)-6-fluoro-2-(trifluoromethyl)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[5-(difluoromethyl)-6-fluoro-2-(trifluoromethyl)-3-pyridinyl]methanamine
PubChem CID130081564
Molecular FormulaC8H6F6N2
Molecular Weight244.14 g/mol
Exact Mass244.04
IUPAC Name[5-(difluoromethyl)-6-fluoro-2-(trifluoromethyl)-3-pyridinyl]methanamine
SMILESNCc1cc(C(F)F)c(F)nc1C(F)(F)F
InChIInChI=1S/C8H6F6N2/c9-6(10)4-1-3(2-15)5(8(12,13)14)16-7(4)11/h1,6H,2,15H2
InChIKeyFRYPWSPWUTYKCF-UHFFFAOYSA-N
XLogP2.64
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.14
LogP ≤ 52.64
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-(aminomethyl)-5-(difluoromethyl)-6-fluoro-3-pyridinyl]methanol
CID 130081622
5-(difluoromethyl)-2-fluoro-6-(trifluoromethyl)pyridin-3-amine
CID 130104126
[3-(difluoromethyl)-2-fluoro-6-(trifluoromethyl)-4-pyridinyl]methanamine
CID 130081569
[3-(difluoromethyl)-6-fluoro-2-(trifluoromethyl)-4-pyridinyl]methanamine
CID 130081572
3-(aminomethyl)-5-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-sulfonyl chloride
CID 133084830
2-[2-(aminomethyl)-5-(difluoromethyl)-6-fluoro-3-pyridinyl]acetic acid
CID 118836900
methyl 2-[3-(aminomethyl)-5-(difluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]acetate
CID 133086990
5-(difluoromethyl)-3-fluoro-6-(trifluoromethyl)pyridin-2-amine
CID 118999361
[6-(difluoromethyl)-3-iodo-2-(trifluoromethyl)-4-pyridinyl]methanamine
CID 130086829
[4-(difluoromethyl)-6-methyl-2-(trifluoromethyl)-3-pyridinyl]methanamine
CID 130088386
[5-chloro-3-(difluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]methanamine
CID 118842676
[2-(difluoromethyl)-3-iodo-6-(trifluoromethyl)-4-pyridinyl]methanamine
CID 130086828

Frequently Asked Questions

What is the IUPAC name of [5-(difluoromethyl)-6-fluoro-2-(trifluoromethyl)-3-pyridinyl]methanamine?
The IUPAC name of [5-(difluoromethyl)-6-fluoro-2-(trifluoromethyl)-3-pyridinyl]methanamine (CID 130081564) is [5-(difluoromethyl)-6-fluoro-2-(trifluoromethyl)-3-pyridinyl]methanamine.
What is the SMILES notation for [5-(difluoromethyl)-6-fluoro-2-(trifluoromethyl)-3-pyridinyl]methanamine?
The canonical SMILES for [5-(difluoromethyl)-6-fluoro-2-(trifluoromethyl)-3-pyridinyl]methanamine is NCc1cc(C(F)F)c(F)nc1C(F)(F)F.
What is the InChIKey of [5-(difluoromethyl)-6-fluoro-2-(trifluoromethyl)-3-pyridinyl]methanamine?
The InChIKey is FRYPWSPWUTYKCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F6N2/c9-6(10)4-1-3(2-15)5(8(12,13)14)16-7(4)11/h1,6H,2,15H2.
What are the key properties of [5-(difluoromethyl)-6-fluoro-2-(trifluoromethyl)-3-pyridinyl]methanamine?
[5-(difluoromethyl)-6-fluoro-2-(trifluoromethyl)-3-pyridinyl]methanamine has a molecular weight of 244.14 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-(difluoromethyl)-6-fluoro-2-(trifluoromethyl)-3-pyridinyl]methanamine is sourced from PubChem (CID 130081564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).