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

C8H5F6NO — CID 130082460

IUPAC[4-(difluoromethyl)-5-fluoro-2-(trifluoromethyl)-3-pyridinyl]methanol
SMILESOCc1c(C(F)(F)F)ncc(F)c1C(F)F
InChIInChI=1S/C8H5F6NO/c9-4-1-15-6(8(12,13)14)3(2-16)5(4)7(10)11/h1,7,16H,2H2
InChIKeySJYYXXGJPQRHLH-UHFFFAOYSA-N
MW245.12 g/mol
LogP2.67
Rot. Bonds2

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

[4-(difluoromethyl)-5-fluoro-2-(trifluoromethyl)-3-pyridinyl]methanol (PubChem CID 130082460) has the molecular formula C8H5F6NO and a molecular weight of 245.12 g/mol. Its IUPAC name is [4-(difluoromethyl)-5-fluoro-2-(trifluoromethyl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[4-(difluoromethyl)-5-fluoro-2-(trifluoromethyl)-3-pyridinyl]methanol
PubChem CID130082460
Molecular FormulaC8H5F6NO
Molecular Weight245.12 g/mol
Exact Mass245.03
IUPAC Name[4-(difluoromethyl)-5-fluoro-2-(trifluoromethyl)-3-pyridinyl]methanol
SMILESOCc1c(C(F)(F)F)ncc(F)c1C(F)F
InChIInChI=1S/C8H5F6NO/c9-4-1-15-6(8(12,13)14)3(2-16)5(4)7(10)11/h1,7,16H,2H2
InChIKeySJYYXXGJPQRHLH-UHFFFAOYSA-N
XLogP2.67
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.12
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(difluoromethyl)-5-methoxy-2-(trifluoromethyl)-3-pyridinyl]methanol
CID 118824102
4-(difluoromethyl)-5-(hydroxymethyl)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 133106995
[4-chloro-5-(difluoromethyl)-2-(trifluoromethyl)-3-pyridinyl]methanol
CID 118839353
5-(difluoromethyl)-4-(hydroxymethyl)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 133107002
[4-(difluoromethyl)-5-methyl-2-(trifluoromethyl)-3-pyridinyl]methanamine
CID 130088384
3-(bromomethyl)-4-(difluoromethyl)-5-fluoropyridin-2-amine
CID 118992544
2-[4-(difluoromethyl)-5-methyl-2-(trifluoromethyl)-3-pyridinyl]acetonitrile
CID 118801473
2-[4-(difluoromethyl)-5-hydroxy-2-(trifluoromethyl)-3-pyridinyl]acetonitrile
CID 118851080
2-[4-(difluoromethyl)-5-fluoro-6-(trifluoromethyl)-3-pyridinyl]acetic acid
CID 118823250
2-[4-(difluoromethyl)-5-fluoro-3-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 118840572
[2-(aminomethyl)-4-(difluoromethyl)-5-(trifluoromethyl)-3-pyridinyl]methanol
CID 118837003
[4-(difluoromethyl)-2-fluoro-5-(trifluoromethoxy)-3-pyridinyl]methanol
CID 118846428

Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethyl)-5-fluoro-2-(trifluoromethyl)-3-pyridinyl]methanol?
The IUPAC name of [4-(difluoromethyl)-5-fluoro-2-(trifluoromethyl)-3-pyridinyl]methanol (CID 130082460) is [4-(difluoromethyl)-5-fluoro-2-(trifluoromethyl)-3-pyridinyl]methanol.
What is the SMILES notation for [4-(difluoromethyl)-5-fluoro-2-(trifluoromethyl)-3-pyridinyl]methanol?
The canonical SMILES for [4-(difluoromethyl)-5-fluoro-2-(trifluoromethyl)-3-pyridinyl]methanol is OCc1c(C(F)(F)F)ncc(F)c1C(F)F.
What is the InChIKey of [4-(difluoromethyl)-5-fluoro-2-(trifluoromethyl)-3-pyridinyl]methanol?
The InChIKey is SJYYXXGJPQRHLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F6NO/c9-4-1-15-6(8(12,13)14)3(2-16)5(4)7(10)11/h1,7,16H,2H2.
What are the key properties of [4-(difluoromethyl)-5-fluoro-2-(trifluoromethyl)-3-pyridinyl]methanol?
[4-(difluoromethyl)-5-fluoro-2-(trifluoromethyl)-3-pyridinyl]methanol has a molecular weight of 245.12 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(difluoromethyl)-5-fluoro-2-(trifluoromethyl)-3-pyridinyl]methanol is sourced from PubChem (CID 130082460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).