(5-methoxy-3-pyridinyl)-(2,3,4-trifluorophenyl)methanol

C13H10F3NO2 — CID 115828863

IUPAC(5-methoxy-3-pyridinyl)-(2,3,4-trifluorophenyl)methanol
SMILESCOc1cncc(C(O)c2ccc(F)c(F)c2F)c1
InChIInChI=1S/C13H10F3NO2/c1-19-8-4-7(5-17-6-8)13(18)9-2-3-10(14)12(16)11(9)15/h2-6,13,18H,1H3
InChIKeyBXOSJINTDAPSHF-UHFFFAOYSA-N
MW269.22 g/mol
LogP2.59
Rot. Bonds3

About (5-methoxy-3-pyridinyl)-(2,3,4-trifluorophenyl)methanol

(5-methoxy-3-pyridinyl)-(2,3,4-trifluorophenyl)methanol (PubChem CID 115828863) has the molecular formula C13H10F3NO2 and a molecular weight of 269.22 g/mol. Its IUPAC name is (5-methoxy-3-pyridinyl)-(2,3,4-trifluorophenyl)methanol.

Molecular Properties

Compound Name(5-methoxy-3-pyridinyl)-(2,3,4-trifluorophenyl)methanol
PubChem CID115828863
Molecular FormulaC13H10F3NO2
Molecular Weight269.22 g/mol
Exact Mass269.07
IUPAC Name(5-methoxy-3-pyridinyl)-(2,3,4-trifluorophenyl)methanol
SMILESCOc1cncc(C(O)c2ccc(F)c(F)c2F)c1
InChIInChI=1S/C13H10F3NO2/c1-19-8-4-7(5-17-6-8)13(18)9-2-3-10(14)12(16)11(9)15/h2-6,13,18H,1H3
InChIKeyBXOSJINTDAPSHF-UHFFFAOYSA-N
XLogP2.59
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.22
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-bromo-4-fluorophenyl)-(5-methoxy-3-pyridinyl)methanol
CID 115828878
N-[(5-methoxy-3-pyridinyl)-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 105025866
(4-chloro-2,5-difluorophenyl)-(5-methoxy-3-pyridinyl)methanol
CID 115828955
(5-fluoro-3-pyridinyl)-(5-methoxy-3-pyridinyl)methanol
CID 105121302
(5-bromo-2-methylphenyl)-(5-methoxy-3-pyridinyl)methanol
CID 115828827
(2,3-difluoro-4-methylphenyl)-(5-fluoro-3-pyridinyl)methanol
CID 107516186
N-[(2-bromo-3,4-difluorophenyl)-(5-methoxy-3-pyridinyl)methyl]ethanamine
CID 107539197
(2-iodo-3-methylphenyl)-(5-methoxy-3-pyridinyl)methanol
CID 114030462
(5-ethoxy-3-pyridinyl)-(2-fluoro-5-methylphenyl)methanol
CID 115828977
2,2-difluoro-1-(5-methoxy-3-pyridinyl)ethanol
CID 112575542
(3,4-difluorophenyl)-(2,3,4-trifluorophenyl)methanol
CID 62965110
(5-bromoquinolin-8-yl)-(5-methoxy-3-pyridinyl)methanol
CID 115959972

Frequently Asked Questions

What is the IUPAC name of (5-methoxy-3-pyridinyl)-(2,3,4-trifluorophenyl)methanol?
The IUPAC name of (5-methoxy-3-pyridinyl)-(2,3,4-trifluorophenyl)methanol (CID 115828863) is (5-methoxy-3-pyridinyl)-(2,3,4-trifluorophenyl)methanol.
What is the SMILES notation for (5-methoxy-3-pyridinyl)-(2,3,4-trifluorophenyl)methanol?
The canonical SMILES for (5-methoxy-3-pyridinyl)-(2,3,4-trifluorophenyl)methanol is COc1cncc(C(O)c2ccc(F)c(F)c2F)c1.
What is the InChIKey of (5-methoxy-3-pyridinyl)-(2,3,4-trifluorophenyl)methanol?
The InChIKey is BXOSJINTDAPSHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3NO2/c1-19-8-4-7(5-17-6-8)13(18)9-2-3-10(14)12(16)11(9)15/h2-6,13,18H,1H3.
What are the key properties of (5-methoxy-3-pyridinyl)-(2,3,4-trifluorophenyl)methanol?
(5-methoxy-3-pyridinyl)-(2,3,4-trifluorophenyl)methanol has a molecular weight of 269.22 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxy-3-pyridinyl)-(2,3,4-trifluorophenyl)methanol is sourced from PubChem (CID 115828863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).