[4-amino-3-(difluoromethyl)-5-(trifluoromethoxy)-2-pyridinyl]methanol

C8H7F5N2O2 — CID 118851542

IUPAC[4-amino-3-(difluoromethyl)-5-(trifluoromethoxy)-2-pyridinyl]methanol
SMILESNc1c(OC(F)(F)F)cnc(CO)c1C(F)F
InChIInChI=1S/C8H7F5N2O2/c9-7(10)5-3(2-16)15-1-4(6(5)14)17-8(11,12)13/h1,7,16H,2H2,(H2,14,15)
InChIKeyKYPQWPXPYLPYMT-UHFFFAOYSA-N
MW258.15 g/mol
LogP1.99
Rot. Bonds3

About [4-amino-3-(difluoromethyl)-5-(trifluoromethoxy)-2-pyridinyl]methanol

[4-amino-3-(difluoromethyl)-5-(trifluoromethoxy)-2-pyridinyl]methanol (PubChem CID 118851542) has the molecular formula C8H7F5N2O2 and a molecular weight of 258.15 g/mol. Its IUPAC name is [4-amino-3-(difluoromethyl)-5-(trifluoromethoxy)-2-pyridinyl]methanol.

Molecular Properties

Compound Name[4-amino-3-(difluoromethyl)-5-(trifluoromethoxy)-2-pyridinyl]methanol
PubChem CID118851542
Molecular FormulaC8H7F5N2O2
Molecular Weight258.15 g/mol
Exact Mass258.04
IUPAC Name[4-amino-3-(difluoromethyl)-5-(trifluoromethoxy)-2-pyridinyl]methanol
SMILESNc1c(OC(F)(F)F)cnc(CO)c1C(F)F
InChIInChI=1S/C8H7F5N2O2/c9-7(10)5-3(2-16)15-1-4(6(5)14)17-8(11,12)13/h1,7,16H,2H2,(H2,14,15)
InChIKeyKYPQWPXPYLPYMT-UHFFFAOYSA-N
XLogP1.99
TPSA68.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.15
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(aminomethyl)-3-(difluoromethyl)-5-(trifluoromethoxy)-2-pyridinyl]methanol
CID 134672695
[2-(aminomethyl)-3-(difluoromethyl)-5-(trifluoromethoxy)-4-pyridinyl]methanol
CID 118825588
2-chloro-3-(difluoromethyl)-5-(trifluoromethoxy)pyridin-4-amine
CID 118811897
[4-(difluoromethyl)-5-methoxy-3-(trifluoromethoxy)-2-pyridinyl]methanol
CID 118824029
[4-(difluoromethyl)-2-fluoro-5-(trifluoromethoxy)-3-pyridinyl]methanol
CID 118846428
3-(difluoromethyl)-5-methoxy-2-(trifluoromethoxy)pyridin-4-amine
CID 118800001
[3-(difluoromethyl)-4-methyl-5-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 118853765
4-(difluoromethyl)-2-(hydroxymethyl)-5-methoxypyridin-3-ol
CID 118835243
3-(difluoromethyl)-4-methoxy-5-(trifluoromethoxy)pyridin-2-amine
CID 119021668
[4-(difluoromethyl)-5-methoxy-3-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 118825721
[5-amino-4-chloro-3-(difluoromethyl)-2-pyridinyl]methanol
CID 130102835
[3-(difluoromethyl)-5-iodo-4-(trifluoromethyl)-2-pyridinyl]methanol
CID 130087709

Frequently Asked Questions

What is the IUPAC name of [4-amino-3-(difluoromethyl)-5-(trifluoromethoxy)-2-pyridinyl]methanol?
The IUPAC name of [4-amino-3-(difluoromethyl)-5-(trifluoromethoxy)-2-pyridinyl]methanol (CID 118851542) is [4-amino-3-(difluoromethyl)-5-(trifluoromethoxy)-2-pyridinyl]methanol.
What is the SMILES notation for [4-amino-3-(difluoromethyl)-5-(trifluoromethoxy)-2-pyridinyl]methanol?
The canonical SMILES for [4-amino-3-(difluoromethyl)-5-(trifluoromethoxy)-2-pyridinyl]methanol is Nc1c(OC(F)(F)F)cnc(CO)c1C(F)F.
What is the InChIKey of [4-amino-3-(difluoromethyl)-5-(trifluoromethoxy)-2-pyridinyl]methanol?
The InChIKey is KYPQWPXPYLPYMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F5N2O2/c9-7(10)5-3(2-16)15-1-4(6(5)14)17-8(11,12)13/h1,7,16H,2H2,(H2,14,15).
What are the key properties of [4-amino-3-(difluoromethyl)-5-(trifluoromethoxy)-2-pyridinyl]methanol?
[4-amino-3-(difluoromethyl)-5-(trifluoromethoxy)-2-pyridinyl]methanol has a molecular weight of 258.15 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-3-(difluoromethyl)-5-(trifluoromethoxy)-2-pyridinyl]methanol is sourced from PubChem (CID 118851542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).