[4-fluoro-5-(trifluoromethoxy)-3-pyridinyl]methanamine

C7H6F4N2O — CID 130092090

IUPAC[4-fluoro-5-(trifluoromethoxy)-3-pyridinyl]methanamine
SMILESNCc1cncc(OC(F)(F)F)c1F
InChIInChI=1S/C7H6F4N2O/c8-6-4(1-12)2-13-3-5(6)14-7(9,10)11/h2-3H,1,12H2
InChIKeyYLNHWTRUSCOEAQ-UHFFFAOYSA-N
MW210.13 g/mol
LogP1.58
Rot. Bonds2

About [4-fluoro-5-(trifluoromethoxy)-3-pyridinyl]methanamine

[4-fluoro-5-(trifluoromethoxy)-3-pyridinyl]methanamine (PubChem CID 130092090) has the molecular formula C7H6F4N2O and a molecular weight of 210.13 g/mol. Its IUPAC name is [4-fluoro-5-(trifluoromethoxy)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[4-fluoro-5-(trifluoromethoxy)-3-pyridinyl]methanamine
PubChem CID130092090
Molecular FormulaC7H6F4N2O
Molecular Weight210.13 g/mol
Exact Mass210.04
IUPAC Name[4-fluoro-5-(trifluoromethoxy)-3-pyridinyl]methanamine
SMILESNCc1cncc(OC(F)(F)F)c1F
InChIInChI=1S/C7H6F4N2O/c8-6-4(1-12)2-13-3-5(6)14-7(9,10)11/h2-3H,1,12H2
InChIKeyYLNHWTRUSCOEAQ-UHFFFAOYSA-N
XLogP1.58
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.13
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-chloro-5-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 130089739
4-(aminomethyl)-5-(trifluoromethoxy)pyridin-3-ol
CID 118818649
[4,6-difluoro-5-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 130094285
5-(aminomethyl)-4-fluoro-2-(trifluoromethoxy)pyridin-3-amine
CID 133086175
3-(aminomethyl)-2-fluoro-6-(trifluoromethoxy)aniline
CID 134624109
5-(aminomethyl)-4-(trifluoromethoxy)pyridin-2-amine
CID 119001782
2-(aminomethyl)-4-fluoro-5-(trifluoromethoxy)pyridine-3-carbonitrile
CID 118836746
[4-bromo-5-fluoro-6-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 131570412
[6-chloro-4-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 130089748
3-(fluoromethyl)-5-(trifluoromethoxy)pyridine-4-carbonitrile
CID 118844852
4-(bromomethyl)-3-fluoro-5-(trifluoromethoxy)pyridine
CID 130092126
[5,6-difluoro-4-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 130094281

Frequently Asked Questions

What is the IUPAC name of [4-fluoro-5-(trifluoromethoxy)-3-pyridinyl]methanamine?
The IUPAC name of [4-fluoro-5-(trifluoromethoxy)-3-pyridinyl]methanamine (CID 130092090) is [4-fluoro-5-(trifluoromethoxy)-3-pyridinyl]methanamine.
What is the SMILES notation for [4-fluoro-5-(trifluoromethoxy)-3-pyridinyl]methanamine?
The canonical SMILES for [4-fluoro-5-(trifluoromethoxy)-3-pyridinyl]methanamine is NCc1cncc(OC(F)(F)F)c1F.
What is the InChIKey of [4-fluoro-5-(trifluoromethoxy)-3-pyridinyl]methanamine?
The InChIKey is YLNHWTRUSCOEAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F4N2O/c8-6-4(1-12)2-13-3-5(6)14-7(9,10)11/h2-3H,1,12H2.
What are the key properties of [4-fluoro-5-(trifluoromethoxy)-3-pyridinyl]methanamine?
[4-fluoro-5-(trifluoromethoxy)-3-pyridinyl]methanamine has a molecular weight of 210.13 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-5-(trifluoromethoxy)-3-pyridinyl]methanamine is sourced from PubChem (CID 130092090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).