[2,4-bis(trifluoromethyl)-3-pyridinyl]methanol

C8H5F6NO — CID 131282988

IUPAC[2,4-bis(trifluoromethyl)-3-pyridinyl]methanol
SMILESOCc1c(C(F)(F)F)ccnc1C(F)(F)F
InChIInChI=1S/C8H5F6NO/c9-7(10,11)5-1-2-15-6(4(5)3-16)8(12,13)14/h1-2,16H,3H2
InChIKeyNVJYNWFUSOWRKR-UHFFFAOYSA-N
MW245.12 g/mol
LogP2.61
Rot. Bonds1

About [2,4-bis(trifluoromethyl)-3-pyridinyl]methanol

[2,4-bis(trifluoromethyl)-3-pyridinyl]methanol (PubChem CID 131282988) has the molecular formula C8H5F6NO and a molecular weight of 245.12 g/mol. Its IUPAC name is [2,4-bis(trifluoromethyl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[2,4-bis(trifluoromethyl)-3-pyridinyl]methanol
PubChem CID131282988
Molecular FormulaC8H5F6NO
Molecular Weight245.12 g/mol
Exact Mass245.03
IUPAC Name[2,4-bis(trifluoromethyl)-3-pyridinyl]methanol
SMILESOCc1c(C(F)(F)F)ccnc1C(F)(F)F
InChIInChI=1S/C8H5F6NO/c9-7(10,11)5-1-2-15-6(4(5)3-16)8(12,13)14/h1-2,16H,3H2
InChIKeyNVJYNWFUSOWRKR-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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Related Compounds

[2-amino-4-(trifluoromethyl)-3-pyridinyl]methanol
CID 118704003
[2,6-bis(trifluoromethyl)phenyl]methanol
CID 15346431
azane;2,3-diethyl-4-(trifluoromethyl)pyridine
CID 174607382
3-(fluoromethyl)-2-iodo-4-(trifluoromethyl)pyridine
CID 130864281
3-(chloromethyl)-4-iodo-2-(trifluoromethyl)pyridine
CID 131072069
3-(hydroxymethyl)-4-(trifluoromethyl)benzene-1,2-diol
CID 84675775
[4-bromo-3-(trifluoromethyl)-2-pyridinyl]methanol
CID 118822869
4-ethyl-2,3-bis(trifluoromethyl)pyridine
CID 133094685
[4-(difluoromethyl)-5-fluoro-2-(trifluoromethyl)-3-pyridinyl]methanol
CID 130082460
2-[3-amino-4-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 133098315
[4-chloro-5-(difluoromethyl)-2-(trifluoromethyl)-3-pyridinyl]methanol
CID 118839353
[3,5-dichloro-2-(trifluoromethyl)-4-pyridinyl]methanol
CID 170906648

Frequently Asked Questions

What is the IUPAC name of [2,4-bis(trifluoromethyl)-3-pyridinyl]methanol?
The IUPAC name of [2,4-bis(trifluoromethyl)-3-pyridinyl]methanol (CID 131282988) is [2,4-bis(trifluoromethyl)-3-pyridinyl]methanol.
What is the SMILES notation for [2,4-bis(trifluoromethyl)-3-pyridinyl]methanol?
The canonical SMILES for [2,4-bis(trifluoromethyl)-3-pyridinyl]methanol is OCc1c(C(F)(F)F)ccnc1C(F)(F)F.
What is the InChIKey of [2,4-bis(trifluoromethyl)-3-pyridinyl]methanol?
The InChIKey is NVJYNWFUSOWRKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F6NO/c9-7(10,11)5-1-2-15-6(4(5)3-16)8(12,13)14/h1-2,16H,3H2.
What are the key properties of [2,4-bis(trifluoromethyl)-3-pyridinyl]methanol?
[2,4-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 [2,4-bis(trifluoromethyl)-3-pyridinyl]methanol is sourced from PubChem (CID 131282988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).