(2-methyl-3-pyridinyl)-(2,3,4-trifluorophenyl)methanol

C13H10F3NO — CID 105097054

IUPAC(2-methyl-3-pyridinyl)-(2,3,4-trifluorophenyl)methanol
SMILESCc1ncccc1C(O)c1ccc(F)c(F)c1F
InChIInChI=1S/C13H10F3NO/c1-7-8(3-2-6-17-7)13(18)9-4-5-10(14)12(16)11(9)15/h2-6,13,18H,1H3
InChIKeyWYLVMKZTGDRHDE-UHFFFAOYSA-N
MW253.22 g/mol
LogP2.89
Rot. Bonds2

About (2-methyl-3-pyridinyl)-(2,3,4-trifluorophenyl)methanol

(2-methyl-3-pyridinyl)-(2,3,4-trifluorophenyl)methanol (PubChem CID 105097054) has the molecular formula C13H10F3NO and a molecular weight of 253.22 g/mol. Its IUPAC name is (2-methyl-3-pyridinyl)-(2,3,4-trifluorophenyl)methanol.

Molecular Properties

Compound Name(2-methyl-3-pyridinyl)-(2,3,4-trifluorophenyl)methanol
PubChem CID105097054
Molecular FormulaC13H10F3NO
Molecular Weight253.22 g/mol
Exact Mass253.07
IUPAC Name(2-methyl-3-pyridinyl)-(2,3,4-trifluorophenyl)methanol
SMILESCc1ncccc1C(O)c1ccc(F)c(F)c1F
InChIInChI=1S/C13H10F3NO/c1-7-8(3-2-6-17-7)13(18)9-4-5-10(14)12(16)11(9)15/h2-6,13,18H,1H3
InChIKeyWYLVMKZTGDRHDE-UHFFFAOYSA-N
XLogP2.89
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.22
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(2-methylphenyl)-(2-methyl-3-pyridinyl)methanol
CID 105078767
[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(2-methyl-3-pyridinyl)methanol
CID 106972085
(5-fluoro-2-methylphenyl)-(2,3,4-trifluorophenyl)methanol
CID 62964628
(1-methylimidazol-2-yl)-(2,3,4-trifluorophenyl)methanol
CID 79755971
(3-chlorophenyl)-(2-methyl-3-pyridinyl)methanol
CID 105081367
2,3-dihydroxy-3-(2-methyl-3-pyridinyl)propanoic acid
CID 170823469
(2,3-dimethoxyphenyl)-(2,3,4-trifluorophenyl)methanol
CID 63895257
(5-bromoquinolin-8-yl)-(2,3-difluorophenyl)methanol
CID 115959915
(1R)-2-amino-1-(2-methyl-3-pyridinyl)ethanol
CID 96635768
(3-ethylphenyl)-(2-methyl-3-pyridinyl)methanol
CID 105117216
3-methyl-2-[2-(2,3,4-trifluorophenyl)propyl]pyridine
CID 176548848
(1-ethylimidazol-2-yl)-(2,3,4-trifluorophenyl)methanol
CID 79755972

Frequently Asked Questions

What is the IUPAC name of (2-methyl-3-pyridinyl)-(2,3,4-trifluorophenyl)methanol?
The IUPAC name of (2-methyl-3-pyridinyl)-(2,3,4-trifluorophenyl)methanol (CID 105097054) is (2-methyl-3-pyridinyl)-(2,3,4-trifluorophenyl)methanol.
What is the SMILES notation for (2-methyl-3-pyridinyl)-(2,3,4-trifluorophenyl)methanol?
The canonical SMILES for (2-methyl-3-pyridinyl)-(2,3,4-trifluorophenyl)methanol is Cc1ncccc1C(O)c1ccc(F)c(F)c1F.
What is the InChIKey of (2-methyl-3-pyridinyl)-(2,3,4-trifluorophenyl)methanol?
The InChIKey is WYLVMKZTGDRHDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3NO/c1-7-8(3-2-6-17-7)13(18)9-4-5-10(14)12(16)11(9)15/h2-6,13,18H,1H3.
What are the key properties of (2-methyl-3-pyridinyl)-(2,3,4-trifluorophenyl)methanol?
(2-methyl-3-pyridinyl)-(2,3,4-trifluorophenyl)methanol has a molecular weight of 253.22 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-3-pyridinyl)-(2,3,4-trifluorophenyl)methanol is sourced from PubChem (CID 105097054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).