[5-(difluoromethyl)-4-(trifluoromethoxy)-3-(trifluoromethyl)-2-pyridinyl]methanamine

C9H6F8N2O — CID 134672562

IUPAC[5-(difluoromethyl)-4-(trifluoromethoxy)-3-(trifluoromethyl)-2-pyridinyl]methanamine
SMILESNCc1ncc(C(F)F)c(OC(F)(F)F)c1C(F)(F)F
InChIInChI=1S/C9H6F8N2O/c10-7(11)3-2-19-4(1-18)5(8(12,13)14)6(3)20-9(15,16)17/h2,7H,1,18H2
InChIKeyJNRKLSVVWQETGE-UHFFFAOYSA-N
MW310.14 g/mol
LogP3.40
Rot. Bonds3

About [5-(difluoromethyl)-4-(trifluoromethoxy)-3-(trifluoromethyl)-2-pyridinyl]methanamine

[5-(difluoromethyl)-4-(trifluoromethoxy)-3-(trifluoromethyl)-2-pyridinyl]methanamine (PubChem CID 134672562) has the molecular formula C9H6F8N2O and a molecular weight of 310.14 g/mol. Its IUPAC name is [5-(difluoromethyl)-4-(trifluoromethoxy)-3-(trifluoromethyl)-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[5-(difluoromethyl)-4-(trifluoromethoxy)-3-(trifluoromethyl)-2-pyridinyl]methanamine
PubChem CID134672562
Molecular FormulaC9H6F8N2O
Molecular Weight310.14 g/mol
Exact Mass310.04
IUPAC Name[5-(difluoromethyl)-4-(trifluoromethoxy)-3-(trifluoromethyl)-2-pyridinyl]methanamine
SMILESNCc1ncc(C(F)F)c(OC(F)(F)F)c1C(F)(F)F
InChIInChI=1S/C9H6F8N2O/c10-7(11)3-2-19-4(1-18)5(8(12,13)14)6(3)20-9(15,16)17/h2,7H,1,18H2
InChIKeyJNRKLSVVWQETGE-UHFFFAOYSA-N
XLogP3.40
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.14
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(bromomethyl)-5-(difluoromethyl)-3-(trifluoromethoxy)-4-(trifluoromethyl)pyridine
CID 134667801
6-(aminomethyl)-4-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-carbonyl chloride
CID 134682245
2-(aminomethyl)-5-(difluoromethyl)-3-(trifluoromethoxy)pyridine-4-carboxylic acid
CID 118842473
methyl 2-(aminomethyl)-5-(difluoromethyl)-4-(trifluoromethoxy)pyridine-3-carboxylate
CID 134661378
[3-bromo-5-(difluoromethyl)-4-(trifluoromethyl)-2-pyridinyl]methanamine
CID 118831112
[5-(difluoromethyl)-4-iodo-3-(trifluoromethoxy)-2-pyridinyl]methanol
CID 134670100
[4-(difluoromethyl)-5-methoxy-3-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 118825721
ethyl 2-[3-(aminomethyl)-5-(difluoromethyl)-4-(trifluoromethoxy)-2-pyridinyl]acetate
CID 134659427
2-(aminomethyl)-3-(trifluoromethoxy)-5-(trifluoromethyl)pyridin-4-amine
CID 118834085
[3,5-difluoro-4-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 130094304
2-(aminomethyl)-4-(trifluoromethoxy)pyridine-3,5-diamine
CID 118825479
[2-(chloromethyl)-5-(difluoromethyl)-4-(trifluoromethoxy)-3-pyridinyl]methanol
CID 118855287

Frequently Asked Questions

What is the IUPAC name of [5-(difluoromethyl)-4-(trifluoromethoxy)-3-(trifluoromethyl)-2-pyridinyl]methanamine?
The IUPAC name of [5-(difluoromethyl)-4-(trifluoromethoxy)-3-(trifluoromethyl)-2-pyridinyl]methanamine (CID 134672562) is [5-(difluoromethyl)-4-(trifluoromethoxy)-3-(trifluoromethyl)-2-pyridinyl]methanamine.
What is the SMILES notation for [5-(difluoromethyl)-4-(trifluoromethoxy)-3-(trifluoromethyl)-2-pyridinyl]methanamine?
The canonical SMILES for [5-(difluoromethyl)-4-(trifluoromethoxy)-3-(trifluoromethyl)-2-pyridinyl]methanamine is NCc1ncc(C(F)F)c(OC(F)(F)F)c1C(F)(F)F.
What is the InChIKey of [5-(difluoromethyl)-4-(trifluoromethoxy)-3-(trifluoromethyl)-2-pyridinyl]methanamine?
The InChIKey is JNRKLSVVWQETGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F8N2O/c10-7(11)3-2-19-4(1-18)5(8(12,13)14)6(3)20-9(15,16)17/h2,7H,1,18H2.
What are the key properties of [5-(difluoromethyl)-4-(trifluoromethoxy)-3-(trifluoromethyl)-2-pyridinyl]methanamine?
[5-(difluoromethyl)-4-(trifluoromethoxy)-3-(trifluoromethyl)-2-pyridinyl]methanamine has a molecular weight of 310.14 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(difluoromethyl)-4-(trifluoromethoxy)-3-(trifluoromethyl)-2-pyridinyl]methanamine is sourced from PubChem (CID 134672562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).