(3-fluoro-4-pyridinyl)-(2,4,5-trimethoxyphenyl)methanol

C15H16FNO4 — CID 104737555

IUPAC(3-fluoro-4-pyridinyl)-(2,4,5-trimethoxyphenyl)methanol
SMILESCOc1cc(OC)c(C(O)c2ccncc2F)cc1OC
InChIInChI=1S/C15H16FNO4/c1-19-12-7-14(21-3)13(20-2)6-10(12)15(18)9-4-5-17-8-11(9)16/h4-8,15,18H,1-3H3
InChIKeyBSUARLUOUINVGJ-UHFFFAOYSA-N
MW293.29 g/mol
LogP2.33
Rot. Bonds5

About (3-fluoro-4-pyridinyl)-(2,4,5-trimethoxyphenyl)methanol

(3-fluoro-4-pyridinyl)-(2,4,5-trimethoxyphenyl)methanol (PubChem CID 104737555) has the molecular formula C15H16FNO4 and a molecular weight of 293.29 g/mol. Its IUPAC name is (3-fluoro-4-pyridinyl)-(2,4,5-trimethoxyphenyl)methanol.

Molecular Properties

Compound Name(3-fluoro-4-pyridinyl)-(2,4,5-trimethoxyphenyl)methanol
PubChem CID104737555
Molecular FormulaC15H16FNO4
Molecular Weight293.29 g/mol
Exact Mass293.11
IUPAC Name(3-fluoro-4-pyridinyl)-(2,4,5-trimethoxyphenyl)methanol
SMILESCOc1cc(OC)c(C(O)c2ccncc2F)cc1OC
InChIInChI=1S/C15H16FNO4/c1-19-12-7-14(21-3)13(20-2)6-10(12)15(18)9-4-5-17-8-11(9)16/h4-8,15,18H,1-3H3
InChIKeyBSUARLUOUINVGJ-UHFFFAOYSA-N
XLogP2.33
TPSA60.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3-fluoro-4-pyridinyl)-(2,4,5-trimethoxyphenyl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-fluoro-4-methoxyphenyl)-(3-methyl-4-pyridinyl)methanol
CID 103395465
(2,5-dimethylthiophen-3-yl)-(3-fluoro-4-pyridinyl)methanol
CID 104737571
(3,6-dimethylpyridazin-4-yl)-(3-fluoro-4-pyridinyl)methanol
CID 105126834
(3-fluoro-4-pyridinyl)-(2,3,4,5,6-pentafluorophenyl)methanol
CID 115833939
(4-fluoro-3-methoxyphenyl)-(3-fluoro-4-pyridinyl)methanamine
CID 105038146
(5-fluoro-3-pyridinyl)-(3-methoxy-4-pyridinyl)methanol
CID 105066191
(4-chlorophenyl)-(2,4,5-trimethoxyphenyl)methanol
CID 61101584
(3-chloro-4-pyridinyl)-(2,4-dimethoxyphenyl)methanol
CID 105095989
[3-fluoro-4-(trifluoromethyl)phenyl]-(3-methoxy-4-pyridinyl)methanol
CID 107292052
1-(3-fluoro-4-pyridinyl)butane-1,2-diol
CID 103454633
(3-chloro-4-pyridinyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 105120947
(3-fluorophenyl)-(2,4,5-trimethoxyphenyl)methanol
CID 63895832

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-pyridinyl)-(2,4,5-trimethoxyphenyl)methanol?
The IUPAC name of (3-fluoro-4-pyridinyl)-(2,4,5-trimethoxyphenyl)methanol (CID 104737555) is (3-fluoro-4-pyridinyl)-(2,4,5-trimethoxyphenyl)methanol.
What is the SMILES notation for (3-fluoro-4-pyridinyl)-(2,4,5-trimethoxyphenyl)methanol?
The canonical SMILES for (3-fluoro-4-pyridinyl)-(2,4,5-trimethoxyphenyl)methanol is COc1cc(OC)c(C(O)c2ccncc2F)cc1OC.
What is the InChIKey of (3-fluoro-4-pyridinyl)-(2,4,5-trimethoxyphenyl)methanol?
The InChIKey is BSUARLUOUINVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO4/c1-19-12-7-14(21-3)13(20-2)6-10(12)15(18)9-4-5-17-8-11(9)16/h4-8,15,18H,1-3H3.
What are the key properties of (3-fluoro-4-pyridinyl)-(2,4,5-trimethoxyphenyl)methanol?
(3-fluoro-4-pyridinyl)-(2,4,5-trimethoxyphenyl)methanol has a molecular weight of 293.29 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-pyridinyl)-(2,4,5-trimethoxyphenyl)methanol is sourced from PubChem (CID 104737555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).