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

C8H7F5N2O2 — CID 119008282

IUPAC[6-amino-5-(difluoromethyl)-3-(trifluoromethoxy)-2-pyridinyl]methanol
SMILESNc1nc(CO)c(OC(F)(F)F)cc1C(F)F
InChIInChI=1S/C8H7F5N2O2/c9-6(10)3-1-5(17-8(11,12)13)4(2-16)15-7(3)14/h1,6,16H,2H2,(H2,14,15)
InChIKeyJTQBRGHCQZMXSI-UHFFFAOYSA-N
MW258.15 g/mol
LogP1.99
Rot. Bonds3

About [6-amino-5-(difluoromethyl)-3-(trifluoromethoxy)-2-pyridinyl]methanol

[6-amino-5-(difluoromethyl)-3-(trifluoromethoxy)-2-pyridinyl]methanol (PubChem CID 119008282) has the molecular formula C8H7F5N2O2 and a molecular weight of 258.15 g/mol. Its IUPAC name is [6-amino-5-(difluoromethyl)-3-(trifluoromethoxy)-2-pyridinyl]methanol.

Molecular Properties

Compound Name[6-amino-5-(difluoromethyl)-3-(trifluoromethoxy)-2-pyridinyl]methanol
PubChem CID119008282
Molecular FormulaC8H7F5N2O2
Molecular Weight258.15 g/mol
Exact Mass258.04
IUPAC Name[6-amino-5-(difluoromethyl)-3-(trifluoromethoxy)-2-pyridinyl]methanol
SMILESNc1nc(CO)c(OC(F)(F)F)cc1C(F)F
InChIInChI=1S/C8H7F5N2O2/c9-6(10)3-1-5(17-8(11,12)13)4(2-16)15-7(3)14/h1,6,16H,2H2,(H2,14,15)
InChIKeyJTQBRGHCQZMXSI-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

3-(difluoromethyl)-6-iodo-5-(trifluoromethoxy)pyridin-2-amine
CID 119022211
6-bromo-3-(difluoromethyl)-5-(trifluoromethoxy)pyridin-2-amine
CID 119009809
[5-(difluoromethyl)-6-nitro-3-(trifluoromethoxy)-2-pyridinyl]methanol
CID 134678874
[6-(difluoromethyl)-5-iodo-3-(trifluoromethoxy)-2-pyridinyl]methanol
CID 118826147
5-(difluoromethyl)-6-(hydroxymethyl)-2-(trifluoromethoxy)pyridin-3-ol
CID 134660021
[2,6-diamino-5-(difluoromethyl)-3-pyridinyl]methanol
CID 119025183
2-[6-amino-5-(difluoromethyl)-3-methoxy-2-pyridinyl]acetic acid
CID 119006598
3-(difluoromethyl)-5-methoxy-6-(trifluoromethyl)pyridin-2-amine
CID 119019307
[5-fluoro-3-(trifluoromethoxy)-6-(trifluoromethyl)-2-pyridinyl]methanol
CID 134680686
[4-amino-3-(difluoromethyl)-5-(trifluoromethoxy)-2-pyridinyl]methanol
CID 118851542
[6-amino-3-(difluoromethyl)-5-methyl-2-pyridinyl]methanol
CID 119018023
6-(chloromethyl)-3-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-sulfonyl chloride
CID 134671081

Frequently Asked Questions

What is the IUPAC name of [6-amino-5-(difluoromethyl)-3-(trifluoromethoxy)-2-pyridinyl]methanol?
The IUPAC name of [6-amino-5-(difluoromethyl)-3-(trifluoromethoxy)-2-pyridinyl]methanol (CID 119008282) is [6-amino-5-(difluoromethyl)-3-(trifluoromethoxy)-2-pyridinyl]methanol.
What is the SMILES notation for [6-amino-5-(difluoromethyl)-3-(trifluoromethoxy)-2-pyridinyl]methanol?
The canonical SMILES for [6-amino-5-(difluoromethyl)-3-(trifluoromethoxy)-2-pyridinyl]methanol is Nc1nc(CO)c(OC(F)(F)F)cc1C(F)F.
What is the InChIKey of [6-amino-5-(difluoromethyl)-3-(trifluoromethoxy)-2-pyridinyl]methanol?
The InChIKey is JTQBRGHCQZMXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F5N2O2/c9-6(10)3-1-5(17-8(11,12)13)4(2-16)15-7(3)14/h1,6,16H,2H2,(H2,14,15).
What are the key properties of [6-amino-5-(difluoromethyl)-3-(trifluoromethoxy)-2-pyridinyl]methanol?
[6-amino-5-(difluoromethyl)-3-(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 [6-amino-5-(difluoromethyl)-3-(trifluoromethoxy)-2-pyridinyl]methanol is sourced from PubChem (CID 119008282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).