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

C8H7F5N2O — CID 130107727

IUPAC[6-amino-3-(difluoromethyl)-2-(trifluoromethyl)-4-pyridinyl]methanol
SMILESNc1cc(CO)c(C(F)F)c(C(F)(F)F)n1
InChIInChI=1S/C8H7F5N2O/c9-7(10)5-3(2-16)1-4(14)15-6(5)8(11,12)13/h1,7,16H,2H2,(H2,14,15)
InChIKeySJBOCPKZQUZPCS-UHFFFAOYSA-N
MW242.15 g/mol
LogP2.11
Rot. Bonds2

About [6-amino-3-(difluoromethyl)-2-(trifluoromethyl)-4-pyridinyl]methanol

[6-amino-3-(difluoromethyl)-2-(trifluoromethyl)-4-pyridinyl]methanol (PubChem CID 130107727) has the molecular formula C8H7F5N2O and a molecular weight of 242.15 g/mol. Its IUPAC name is [6-amino-3-(difluoromethyl)-2-(trifluoromethyl)-4-pyridinyl]methanol.

Molecular Properties

Compound Name[6-amino-3-(difluoromethyl)-2-(trifluoromethyl)-4-pyridinyl]methanol
PubChem CID130107727
Molecular FormulaC8H7F5N2O
Molecular Weight242.15 g/mol
Exact Mass242.05
IUPAC Name[6-amino-3-(difluoromethyl)-2-(trifluoromethyl)-4-pyridinyl]methanol
SMILESNc1cc(CO)c(C(F)F)c(C(F)(F)F)n1
InChIInChI=1S/C8H7F5N2O/c9-7(10)5-3(2-16)1-4(14)15-6(5)8(11,12)13/h1,7,16H,2H2,(H2,14,15)
InChIKeySJBOCPKZQUZPCS-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

[2-amino-3-(difluoromethyl)-6-(trifluoromethyl)-4-pyridinyl]methanol
CID 119014578
[6-amino-3-(difluoromethyl)-2-methyl-4-pyridinyl]methanol
CID 130106484
[4-chloro-5-(difluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]methanol
CID 118839527
[3-(difluoromethyl)-6-fluoro-2-(trifluoromethyl)-4-pyridinyl]methanamine
CID 130081572
[2-(chloromethyl)-3-(difluoromethyl)-6-(trifluoromethyl)-4-pyridinyl]methanol
CID 118843740
[6-amino-2-(trifluoromethyl)-3-pyridinyl]methanol
CID 118704007
[4,6-diamino-3-(difluoromethyl)-2-pyridinyl]methanol
CID 118834949
ethyl 2-[3-(difluoromethyl)-6-methyl-2-(trifluoromethyl)-4-pyridinyl]acetate
CID 171029313
[2,6-diamino-5-(difluoromethyl)-3-pyridinyl]methanol
CID 119025183
[2-(bromomethyl)-3-(difluoromethyl)-6-(trifluoromethoxy)-4-pyridinyl]methanol
CID 134671632
4-(bromomethyl)-6-(difluoromethyl)-5-(trifluoromethyl)pyridin-2-amine
CID 130107064
[6-amino-4-(bromomethyl)-2-(difluoromethyl)-3-pyridinyl]methanol
CID 130107153

Frequently Asked Questions

What is the IUPAC name of [6-amino-3-(difluoromethyl)-2-(trifluoromethyl)-4-pyridinyl]methanol?
The IUPAC name of [6-amino-3-(difluoromethyl)-2-(trifluoromethyl)-4-pyridinyl]methanol (CID 130107727) is [6-amino-3-(difluoromethyl)-2-(trifluoromethyl)-4-pyridinyl]methanol.
What is the SMILES notation for [6-amino-3-(difluoromethyl)-2-(trifluoromethyl)-4-pyridinyl]methanol?
The canonical SMILES for [6-amino-3-(difluoromethyl)-2-(trifluoromethyl)-4-pyridinyl]methanol is Nc1cc(CO)c(C(F)F)c(C(F)(F)F)n1.
What is the InChIKey of [6-amino-3-(difluoromethyl)-2-(trifluoromethyl)-4-pyridinyl]methanol?
The InChIKey is SJBOCPKZQUZPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F5N2O/c9-7(10)5-3(2-16)1-4(14)15-6(5)8(11,12)13/h1,7,16H,2H2,(H2,14,15).
What are the key properties of [6-amino-3-(difluoromethyl)-2-(trifluoromethyl)-4-pyridinyl]methanol?
[6-amino-3-(difluoromethyl)-2-(trifluoromethyl)-4-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 [6-amino-3-(difluoromethyl)-2-(trifluoromethyl)-4-pyridinyl]methanol is sourced from PubChem (CID 130107727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).