2-amino-4-(difluoromethyl)-5-(trifluoromethyl)pyridin-3-ol

C7H5F5N2O — CID 118993704

IUPAC2-amino-4-(difluoromethyl)-5-(trifluoromethyl)pyridin-3-ol
SMILESNc1ncc(C(F)(F)F)c(C(F)F)c1O
InChIInChI=1S/C7H5F5N2O/c8-5(9)3-2(7(10,11)12)1-14-6(13)4(3)15/h1,5,15H,(H2,13,14)
InChIKeyLDEFGQGEPHUCRQ-UHFFFAOYSA-N
MW228.12 g/mol
LogP2.33
Rot. Bonds1

About 2-amino-4-(difluoromethyl)-5-(trifluoromethyl)pyridin-3-ol

2-amino-4-(difluoromethyl)-5-(trifluoromethyl)pyridin-3-ol (PubChem CID 118993704) has the molecular formula C7H5F5N2O and a molecular weight of 228.12 g/mol. Its IUPAC name is 2-amino-4-(difluoromethyl)-5-(trifluoromethyl)pyridin-3-ol.

Molecular Properties

Compound Name2-amino-4-(difluoromethyl)-5-(trifluoromethyl)pyridin-3-ol
PubChem CID118993704
Molecular FormulaC7H5F5N2O
Molecular Weight228.12 g/mol
Exact Mass228.03
IUPAC Name2-amino-4-(difluoromethyl)-5-(trifluoromethyl)pyridin-3-ol
SMILESNc1ncc(C(F)(F)F)c(C(F)F)c1O
InChIInChI=1S/C7H5F5N2O/c8-5(9)3-2(7(10,11)12)1-14-6(13)4(3)15/h1,5,15H,(H2,13,14)
InChIKeyLDEFGQGEPHUCRQ-UHFFFAOYSA-N
XLogP2.33
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.12
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(difluoromethyl)-5-(trifluoromethyl)pyridine-2,4-diamine
CID 119006850
2-amino-4-(difluoromethyl)-5-(trifluoromethyl)pyridine-3-carboxylic acid
CID 118990891
2-amino-5-bromo-4-(difluoromethyl)pyridin-3-ol
CID 130101681
3-(difluoromethyl)-4-methoxy-5-(trifluoromethyl)pyridin-2-amine
CID 119010486
4-(chloromethyl)-3-(difluoromethyl)-5-(trifluoromethyl)pyridin-2-amine
CID 119011225
6-amino-4-(difluoromethyl)-5-hydroxypyridine-3-carbaldehyde
CID 130104859
6-amino-4-(difluoromethyl)-5-hydroxypyridine-3-sulfonyl chloride
CID 130105042
2-bromo-3-(difluoromethyl)-5-(trifluoromethyl)pyridin-4-amine
CID 130102000
[2-(aminomethyl)-4-(difluoromethyl)-5-(trifluoromethyl)-3-pyridinyl]methanol
CID 118837003
ethyl 2-[2-amino-3-(difluoromethyl)-5-(trifluoromethyl)-4-pyridinyl]acetate
CID 134663948
6-amino-4-(difluoromethyl)-5-(trifluoromethoxy)pyridin-3-ol
CID 119014102
3-chloro-4-(difluoromethyl)-2-methyl-5-(trifluoromethyl)pyridine
CID 134674506

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(difluoromethyl)-5-(trifluoromethyl)pyridin-3-ol?
The IUPAC name of 2-amino-4-(difluoromethyl)-5-(trifluoromethyl)pyridin-3-ol (CID 118993704) is 2-amino-4-(difluoromethyl)-5-(trifluoromethyl)pyridin-3-ol.
What is the SMILES notation for 2-amino-4-(difluoromethyl)-5-(trifluoromethyl)pyridin-3-ol?
The canonical SMILES for 2-amino-4-(difluoromethyl)-5-(trifluoromethyl)pyridin-3-ol is Nc1ncc(C(F)(F)F)c(C(F)F)c1O.
What is the InChIKey of 2-amino-4-(difluoromethyl)-5-(trifluoromethyl)pyridin-3-ol?
The InChIKey is LDEFGQGEPHUCRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F5N2O/c8-5(9)3-2(7(10,11)12)1-14-6(13)4(3)15/h1,5,15H,(H2,13,14).
What are the key properties of 2-amino-4-(difluoromethyl)-5-(trifluoromethyl)pyridin-3-ol?
2-amino-4-(difluoromethyl)-5-(trifluoromethyl)pyridin-3-ol has a molecular weight of 228.12 g/mol, XLogP of 2.33, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(difluoromethyl)-5-(trifluoromethyl)pyridin-3-ol is sourced from PubChem (CID 118993704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).