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

C8H7F5N2O — CID 119014578

IUPAC[2-amino-3-(difluoromethyl)-6-(trifluoromethyl)-4-pyridinyl]methanol
SMILESNc1nc(C(F)(F)F)cc(CO)c1C(F)F
InChIInChI=1S/C8H7F5N2O/c9-6(10)5-3(2-16)1-4(8(11,12)13)15-7(5)14/h1,6,16H,2H2,(H2,14,15)
InChIKeyDLDMRLNVGNHNQA-UHFFFAOYSA-N
MW242.15 g/mol
LogP2.11
Rot. Bonds2

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

[2-amino-3-(difluoromethyl)-6-(trifluoromethyl)-4-pyridinyl]methanol (PubChem CID 119014578) has the molecular formula C8H7F5N2O and a molecular weight of 242.15 g/mol. Its IUPAC name is [2-amino-3-(difluoromethyl)-6-(trifluoromethyl)-4-pyridinyl]methanol.

Molecular Properties

Compound Name[2-amino-3-(difluoromethyl)-6-(trifluoromethyl)-4-pyridinyl]methanol
PubChem CID119014578
Molecular FormulaC8H7F5N2O
Molecular Weight242.15 g/mol
Exact Mass242.05
IUPAC Name[2-amino-3-(difluoromethyl)-6-(trifluoromethyl)-4-pyridinyl]methanol
SMILESNc1nc(C(F)(F)F)cc(CO)c1C(F)F
InChIInChI=1S/C8H7F5N2O/c9-6(10)5-3(2-16)1-4(8(11,12)13)15-7(5)14/h1,6,16H,2H2,(H2,14,15)
InChIKeyDLDMRLNVGNHNQA-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

[6-amino-3-(difluoromethyl)-2-(trifluoromethyl)-4-pyridinyl]methanol
CID 130107727
[2-(chloromethyl)-3-(difluoromethyl)-6-(trifluoromethyl)-4-pyridinyl]methanol
CID 118843740
[4-chloro-5-(difluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]methanol
CID 118839527
[3-(difluoromethyl)-2-fluoro-6-(trifluoromethyl)-4-pyridinyl]methanamine
CID 130081569
[6-amino-3-(difluoromethyl)-2-methyl-4-pyridinyl]methanol
CID 130106484
2-[3-(difluoromethyl)-2-fluoro-6-(trifluoromethyl)-4-pyridinyl]acetic acid
CID 133103853
2-[2-chloro-3-(difluoromethyl)-6-(trifluoromethyl)-4-pyridinyl]acetic acid
CID 119019464
4-(chloromethyl)-3-(difluoromethyl)-2-fluoro-6-(trifluoromethyl)pyridine
CID 130082138
4-(bromomethyl)-3-(difluoromethyl)-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine
CID 134672595
[2,6-diamino-5-(difluoromethyl)-3-pyridinyl]methanol
CID 119025183
ethyl 2-[3-(difluoromethyl)-2-fluoro-6-(trifluoromethyl)-4-pyridinyl]acetate
CID 133103838
[6-amino-4-bromo-5-(difluoromethyl)-3-pyridinyl]methanol
CID 118991598

Frequently Asked Questions

What is the IUPAC name of [2-amino-3-(difluoromethyl)-6-(trifluoromethyl)-4-pyridinyl]methanol?
The IUPAC name of [2-amino-3-(difluoromethyl)-6-(trifluoromethyl)-4-pyridinyl]methanol (CID 119014578) is [2-amino-3-(difluoromethyl)-6-(trifluoromethyl)-4-pyridinyl]methanol.
What is the SMILES notation for [2-amino-3-(difluoromethyl)-6-(trifluoromethyl)-4-pyridinyl]methanol?
The canonical SMILES for [2-amino-3-(difluoromethyl)-6-(trifluoromethyl)-4-pyridinyl]methanol is Nc1nc(C(F)(F)F)cc(CO)c1C(F)F.
What is the InChIKey of [2-amino-3-(difluoromethyl)-6-(trifluoromethyl)-4-pyridinyl]methanol?
The InChIKey is DLDMRLNVGNHNQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F5N2O/c9-6(10)5-3(2-16)1-4(8(11,12)13)15-7(5)14/h1,6,16H,2H2,(H2,14,15).
What are the key properties of [2-amino-3-(difluoromethyl)-6-(trifluoromethyl)-4-pyridinyl]methanol?
[2-amino-3-(difluoromethyl)-6-(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 [2-amino-3-(difluoromethyl)-6-(trifluoromethyl)-4-pyridinyl]methanol is sourced from PubChem (CID 119014578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).