[4,6-bis(trifluoromethyl)-3-pyridinyl]methanol

C8H5F6NO — CID 131282987

IUPAC[4,6-bis(trifluoromethyl)-3-pyridinyl]methanol
SMILESOCc1cnc(C(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C8H5F6NO/c9-7(10,11)5-1-6(8(12,13)14)15-2-4(5)3-16/h1-2,16H,3H2
InChIKeyPBHUGNHIGMPYGO-UHFFFAOYSA-N
MW245.12 g/mol
LogP2.61
Rot. Bonds1

About [4,6-bis(trifluoromethyl)-3-pyridinyl]methanol

[4,6-bis(trifluoromethyl)-3-pyridinyl]methanol (PubChem CID 131282987) has the molecular formula C8H5F6NO and a molecular weight of 245.12 g/mol. Its IUPAC name is [4,6-bis(trifluoromethyl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[4,6-bis(trifluoromethyl)-3-pyridinyl]methanol
PubChem CID131282987
Molecular FormulaC8H5F6NO
Molecular Weight245.12 g/mol
Exact Mass245.03
IUPAC Name[4,6-bis(trifluoromethyl)-3-pyridinyl]methanol
SMILESOCc1cnc(C(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C8H5F6NO/c9-7(10,11)5-1-6(8(12,13)14)15-2-4(5)3-16/h1-2,16H,3H2
InChIKeyPBHUGNHIGMPYGO-UHFFFAOYSA-N
XLogP2.61
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.12
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4,6-bis(trifluoromethyl)-3-pyridinyl]methanol?
The IUPAC name of [4,6-bis(trifluoromethyl)-3-pyridinyl]methanol (CID 131282987) is [4,6-bis(trifluoromethyl)-3-pyridinyl]methanol.
What is the SMILES notation for [4,6-bis(trifluoromethyl)-3-pyridinyl]methanol?
The canonical SMILES for [4,6-bis(trifluoromethyl)-3-pyridinyl]methanol is OCc1cnc(C(F)(F)F)cc1C(F)(F)F.
What is the InChIKey of [4,6-bis(trifluoromethyl)-3-pyridinyl]methanol?
The InChIKey is PBHUGNHIGMPYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F6NO/c9-7(10,11)5-1-6(8(12,13)14)15-2-4(5)3-16/h1-2,16H,3H2.
What are the key properties of [4,6-bis(trifluoromethyl)-3-pyridinyl]methanol?
[4,6-bis(trifluoromethyl)-3-pyridinyl]methanol has a molecular weight of 245.12 g/mol, XLogP of 2.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4,6-bis(trifluoromethyl)-3-pyridinyl]methanol is sourced from PubChem (CID 131282987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).