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

C8H7F5N2O2 — CID 118999909

IUPAC[2-amino-5-(difluoromethyl)-3-(trifluoromethoxy)-4-pyridinyl]methanol
SMILESNc1ncc(C(F)F)c(CO)c1OC(F)(F)F
InChIInChI=1S/C8H7F5N2O2/c9-6(10)3-1-15-7(14)5(4(3)2-16)17-8(11,12)13/h1,6,16H,2H2,(H2,14,15)
InChIKeyUDJOWZMCAHRTNU-UHFFFAOYSA-N
MW258.15 g/mol
LogP1.99
Rot. Bonds3

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

[2-amino-5-(difluoromethyl)-3-(trifluoromethoxy)-4-pyridinyl]methanol (PubChem CID 118999909) has the molecular formula C8H7F5N2O2 and a molecular weight of 258.15 g/mol. Its IUPAC name is [2-amino-5-(difluoromethyl)-3-(trifluoromethoxy)-4-pyridinyl]methanol.

Molecular Properties

Compound Name[2-amino-5-(difluoromethyl)-3-(trifluoromethoxy)-4-pyridinyl]methanol
PubChem CID118999909
Molecular FormulaC8H7F5N2O2
Molecular Weight258.15 g/mol
Exact Mass258.04
IUPAC Name[2-amino-5-(difluoromethyl)-3-(trifluoromethoxy)-4-pyridinyl]methanol
SMILESNc1ncc(C(F)F)c(CO)c1OC(F)(F)F
InChIInChI=1S/C8H7F5N2O2/c9-6(10)3-1-15-7(14)5(4(3)2-16)17-8(11,12)13/h1,6,16H,2H2,(H2,14,15)
InChIKeyUDJOWZMCAHRTNU-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

[2-amino-5-(difluoromethyl)-3-methoxy-4-pyridinyl]methanol
CID 119022056
[2-(chloromethyl)-5-(difluoromethyl)-4-(trifluoromethoxy)-3-pyridinyl]methanol
CID 118855287
6-amino-4-(difluoromethyl)-5-(trifluoromethoxy)pyridin-3-ol
CID 119014102
6-amino-4-(aminomethyl)-5-(trifluoromethoxy)pyridin-3-ol
CID 119001508
[5-(difluoromethyl)-4-iodo-3-(trifluoromethoxy)-2-pyridinyl]methanol
CID 134670100
[2-(difluoromethyl)-5-iodo-3-(trifluoromethoxy)-4-pyridinyl]methanol
CID 118815229
ethyl 2-[5-(difluoromethyl)-2-fluoro-3-(trifluoromethoxy)-4-pyridinyl]acetate
CID 134681160
2-chloro-5-(difluoromethyl)-3-(trifluoromethoxy)pyridin-4-amine
CID 118812417
4-(chloromethyl)-5-(difluoromethyl)-2-iodo-3-(trifluoromethoxy)pyridine
CID 118829122
[4-(difluoromethyl)-2-fluoro-5-(trifluoromethoxy)-3-pyridinyl]methanol
CID 118846428
[6-amino-5-(difluoromethyl)-3-(trifluoromethoxy)-2-pyridinyl]methanol
CID 119008282
5-(chloromethyl)-3-(difluoromethyl)-4-(trifluoromethoxy)pyridin-2-amine
CID 119007700

Frequently Asked Questions

What is the IUPAC name of [2-amino-5-(difluoromethyl)-3-(trifluoromethoxy)-4-pyridinyl]methanol?
The IUPAC name of [2-amino-5-(difluoromethyl)-3-(trifluoromethoxy)-4-pyridinyl]methanol (CID 118999909) is [2-amino-5-(difluoromethyl)-3-(trifluoromethoxy)-4-pyridinyl]methanol.
What is the SMILES notation for [2-amino-5-(difluoromethyl)-3-(trifluoromethoxy)-4-pyridinyl]methanol?
The canonical SMILES for [2-amino-5-(difluoromethyl)-3-(trifluoromethoxy)-4-pyridinyl]methanol is Nc1ncc(C(F)F)c(CO)c1OC(F)(F)F.
What is the InChIKey of [2-amino-5-(difluoromethyl)-3-(trifluoromethoxy)-4-pyridinyl]methanol?
The InChIKey is UDJOWZMCAHRTNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F5N2O2/c9-6(10)3-1-15-7(14)5(4(3)2-16)17-8(11,12)13/h1,6,16H,2H2,(H2,14,15).
What are the key properties of [2-amino-5-(difluoromethyl)-3-(trifluoromethoxy)-4-pyridinyl]methanol?
[2-amino-5-(difluoromethyl)-3-(trifluoromethoxy)-4-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 [2-amino-5-(difluoromethyl)-3-(trifluoromethoxy)-4-pyridinyl]methanol is sourced from PubChem (CID 118999909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).