[4-amino-6-(difluoromethyl)-5-(trifluoromethyl)-3-pyridinyl]methanol

C8H7F5N2O — CID 130107749

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

About [4-amino-6-(difluoromethyl)-5-(trifluoromethyl)-3-pyridinyl]methanol

[4-amino-6-(difluoromethyl)-5-(trifluoromethyl)-3-pyridinyl]methanol (PubChem CID 130107749) has the molecular formula C8H7F5N2O and a molecular weight of 242.15 g/mol. Its IUPAC name is [4-amino-6-(difluoromethyl)-5-(trifluoromethyl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[4-amino-6-(difluoromethyl)-5-(trifluoromethyl)-3-pyridinyl]methanol
PubChem CID130107749
Molecular FormulaC8H7F5N2O
Molecular Weight242.15 g/mol
Exact Mass242.05
IUPAC Name[4-amino-6-(difluoromethyl)-5-(trifluoromethyl)-3-pyridinyl]methanol
SMILESNc1c(CO)cnc(C(F)F)c1C(F)(F)F
InChIInChI=1S/C8H7F5N2O/c9-7(10)6-4(8(11,12)13)5(14)3(2-16)1-15-6/h1,7,16H,2H2,(H2,14,15)
InChIKeyWNEOPKNWBCWRKS-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-[5-amino-6-(difluoromethyl)-4-(trifluoromethyl)-3-pyridinyl]acetic acid
CID 134671566
[5-(aminomethyl)-2-(difluoromethyl)-4-(trifluoromethyl)-3-pyridinyl]methanol
CID 133084455
6-(difluoromethyl)-4-(hydroxymethyl)-5-(trifluoromethyl)pyridin-3-ol
CID 130085374
[2-(difluoromethyl)-5-methyl-4-(trifluoromethyl)-3-pyridinyl]methanol
CID 118826518
[3-amino-5-(difluoromethyl)-4-(trifluoromethyl)-2-pyridinyl]methanol
CID 130107745
2-[5-bromo-6-(difluoromethyl)-4-(trifluoromethyl)-3-pyridinyl]acetic acid
CID 134676275
[4,5-diamino-2-(difluoromethyl)-3-pyridinyl]methanol
CID 118818389
[4-amino-6-(bromomethyl)-5-(difluoromethyl)-3-pyridinyl]methanol
CID 130107177
methyl 2-[6-(difluoromethyl)-4-fluoro-5-(trifluoromethyl)-3-pyridinyl]acetate
CID 133103864
[2-amino-3,4-bis(trifluoromethyl)phenyl]methanol
CID 119023402
2-(difluoromethyl)-5-nitro-4-(trifluoromethyl)pyridin-3-amine
CID 134668880
5-(chloromethyl)-2-(difluoromethyl)-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 133106126

Frequently Asked Questions

What is the IUPAC name of [4-amino-6-(difluoromethyl)-5-(trifluoromethyl)-3-pyridinyl]methanol?
The IUPAC name of [4-amino-6-(difluoromethyl)-5-(trifluoromethyl)-3-pyridinyl]methanol (CID 130107749) is [4-amino-6-(difluoromethyl)-5-(trifluoromethyl)-3-pyridinyl]methanol.
What is the SMILES notation for [4-amino-6-(difluoromethyl)-5-(trifluoromethyl)-3-pyridinyl]methanol?
The canonical SMILES for [4-amino-6-(difluoromethyl)-5-(trifluoromethyl)-3-pyridinyl]methanol is Nc1c(CO)cnc(C(F)F)c1C(F)(F)F.
What is the InChIKey of [4-amino-6-(difluoromethyl)-5-(trifluoromethyl)-3-pyridinyl]methanol?
The InChIKey is WNEOPKNWBCWRKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F5N2O/c9-7(10)6-4(8(11,12)13)5(14)3(2-16)1-15-6/h1,7,16H,2H2,(H2,14,15).
What are the key properties of [4-amino-6-(difluoromethyl)-5-(trifluoromethyl)-3-pyridinyl]methanol?
[4-amino-6-(difluoromethyl)-5-(trifluoromethyl)-3-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 [4-amino-6-(difluoromethyl)-5-(trifluoromethyl)-3-pyridinyl]methanol is sourced from PubChem (CID 130107749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).