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

C8H7F5N2O — CID 130107745

IUPAC[3-amino-5-(difluoromethyl)-4-(trifluoromethyl)-2-pyridinyl]methanol
SMILESNc1c(CO)ncc(C(F)F)c1C(F)(F)F
InChIInChI=1S/C8H7F5N2O/c9-7(10)3-1-15-4(2-16)6(14)5(3)8(11,12)13/h1,7,16H,2,14H2
InChIKeyAEGUHEDOJWNOJJ-UHFFFAOYSA-N
MW242.15 g/mol
LogP2.11
Rot. Bonds2

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

[3-amino-5-(difluoromethyl)-4-(trifluoromethyl)-2-pyridinyl]methanol (PubChem CID 130107745) has the molecular formula C8H7F5N2O and a molecular weight of 242.15 g/mol. Its IUPAC name is [3-amino-5-(difluoromethyl)-4-(trifluoromethyl)-2-pyridinyl]methanol.

Molecular Properties

Compound Name[3-amino-5-(difluoromethyl)-4-(trifluoromethyl)-2-pyridinyl]methanol
PubChem CID130107745
Molecular FormulaC8H7F5N2O
Molecular Weight242.15 g/mol
Exact Mass242.05
IUPAC Name[3-amino-5-(difluoromethyl)-4-(trifluoromethyl)-2-pyridinyl]methanol
SMILESNc1c(CO)ncc(C(F)F)c1C(F)(F)F
InChIInChI=1S/C8H7F5N2O/c9-7(10)3-1-15-4(2-16)6(14)5(3)8(11,12)13/h1,7,16H,2,14H2
InChIKeyAEGUHEDOJWNOJJ-UHFFFAOYSA-N
XLogP2.11
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.15
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[4-amino-6-(difluoromethyl)-5-(trifluoromethyl)-3-pyridinyl]methanol
CID 130107749
[3-bromo-5-(difluoromethyl)-4-(trifluoromethyl)-2-pyridinyl]methanamine
CID 118831112
[5-(difluoromethyl)-2-methoxy-4-(trifluoromethyl)-3-pyridinyl]methanol
CID 133098904
[5-bromo-3-(difluoromethyl)-4-(trifluoromethyl)-2-pyridinyl]methanol
CID 130070839
[3-(difluoromethyl)-5-iodo-4-(trifluoromethyl)-2-pyridinyl]methanol
CID 130087709
ethyl 2-[4-amino-5-(difluoromethyl)-3-(trifluoromethyl)-2-pyridinyl]acetate
CID 134670668
[4-amino-3-(difluoromethyl)-5-(trifluoromethoxy)-2-pyridinyl]methanol
CID 118851542
[3-amino-5-(bromomethyl)-4-(difluoromethyl)-2-pyridinyl]methanol
CID 130107173
methyl 2-amino-5-(difluoromethyl)-4-(trifluoromethyl)pyridine-3-carboxylate
CID 134661869
[5-(difluoromethyl)-4-fluoro-3-iodo-2-pyridinyl]methanol
CID 130080189
4-bromo-2-(bromomethyl)-5-(difluoromethyl)-3-(trifluoromethyl)pyridine
CID 130070201
2-(bromomethyl)-5-(difluoromethyl)-3-(trifluoromethoxy)-4-(trifluoromethyl)pyridine
CID 134667801

Frequently Asked Questions

What is the IUPAC name of [3-amino-5-(difluoromethyl)-4-(trifluoromethyl)-2-pyridinyl]methanol?
The IUPAC name of [3-amino-5-(difluoromethyl)-4-(trifluoromethyl)-2-pyridinyl]methanol (CID 130107745) is [3-amino-5-(difluoromethyl)-4-(trifluoromethyl)-2-pyridinyl]methanol.
What is the SMILES notation for [3-amino-5-(difluoromethyl)-4-(trifluoromethyl)-2-pyridinyl]methanol?
The canonical SMILES for [3-amino-5-(difluoromethyl)-4-(trifluoromethyl)-2-pyridinyl]methanol is Nc1c(CO)ncc(C(F)F)c1C(F)(F)F.
What is the InChIKey of [3-amino-5-(difluoromethyl)-4-(trifluoromethyl)-2-pyridinyl]methanol?
The InChIKey is AEGUHEDOJWNOJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F5N2O/c9-7(10)3-1-15-4(2-16)6(14)5(3)8(11,12)13/h1,7,16H,2,14H2.
What are the key properties of [3-amino-5-(difluoromethyl)-4-(trifluoromethyl)-2-pyridinyl]methanol?
[3-amino-5-(difluoromethyl)-4-(trifluoromethyl)-2-pyridinyl]methanol has a molecular weight of 242.15 g/mol, XLogP of 2.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-5-(difluoromethyl)-4-(trifluoromethyl)-2-pyridinyl]methanol is sourced from PubChem (CID 130107745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).