2-[(2-fluoro-4-propylphenoxy)methyl]pyridine;methanediol

C16H20FNO3 — CID 143451373

IUPAC2-[(2-fluoro-4-propylphenoxy)methyl]pyridine;methanediol
SMILESCCCc1ccc(OCc2ccccn2)c(F)c1.OCO
InChIInChI=1S/C15H16FNO.CH4O2/c1-2-5-12-7-8-15(14(16)10-12)18-11-13-6-3-4-9-17-13;2-1-3/h3-4,6-10H,2,5,11H2,1H3;2-3H,1H2
InChIKeyFWPNNGAQRYYFRU-UHFFFAOYSA-N
MW293.34 g/mol
LogP2.68
Rot. Bonds5

About 2-[(2-fluoro-4-propylphenoxy)methyl]pyridine;methanediol

2-[(2-fluoro-4-propylphenoxy)methyl]pyridine;methanediol (PubChem CID 143451373) has the molecular formula C16H20FNO3 and a molecular weight of 293.34 g/mol. Its IUPAC name is 2-[(2-fluoro-4-propylphenoxy)methyl]pyridine;methanediol.

Molecular Properties

Compound Name2-[(2-fluoro-4-propylphenoxy)methyl]pyridine;methanediol
PubChem CID143451373
Molecular FormulaC16H20FNO3
Molecular Weight293.34 g/mol
Exact Mass293.14
IUPAC Name2-[(2-fluoro-4-propylphenoxy)methyl]pyridine;methanediol
SMILESCCCc1ccc(OCc2ccccn2)c(F)c1.OCO
InChIInChI=1S/C15H16FNO.CH4O2/c1-2-5-12-7-8-15(14(16)10-12)18-11-13-6-3-4-9-17-13;2-1-3/h3-4,6-10H,2,5,11H2,1H3;2-3H,1H2
InChIKeyFWPNNGAQRYYFRU-UHFFFAOYSA-N
XLogP2.68
TPSA62.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]propan-2-amine
CID 107693096
3-fluoro-4-(pyridin-2-ylmethoxy)aniline;dihydrochloride
CID 75530160
methyl 3-fluoro-4-(pyridin-2-ylmethoxy)benzoate
CID 69001811
3-fluoro-4-(pyridin-2-ylmethoxy)benzamide;hydrochloride
CID 142684298
2-[4-(pyridin-2-ylmethoxy)-3-(trifluoromethyl)phenyl]ethanamine
CID 63320510
2-chloro-N'-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]ethanimidamide
CID 169368725
N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]-2,3-dihydroxy-3-methylbutanamide
CID 166253172
2-[3-fluoro-4-(pyridin-2-ylmethoxy)anilino]ethene-1,1,2-tricarbonitrile
CID 168609787
N-[[3-fluoro-4-[(6-methyl-2-pyridinyl)methoxy]phenyl]methyl]ethanamine
CID 107686985
2,3-difluoro-1-[4-[(2-fluoro-4-propylphenoxy)methyl]phenyl]-4-methylbenzene
CID 58140637
(Z)-but-2-enedioic acid;N-[1-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]propan-2-yl]-3,3-diphenylpropan-1-amine
CID 70621235
N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 71865991

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluoro-4-propylphenoxy)methyl]pyridine;methanediol?
The IUPAC name of 2-[(2-fluoro-4-propylphenoxy)methyl]pyridine;methanediol (CID 143451373) is 2-[(2-fluoro-4-propylphenoxy)methyl]pyridine;methanediol.
What is the SMILES notation for 2-[(2-fluoro-4-propylphenoxy)methyl]pyridine;methanediol?
The canonical SMILES for 2-[(2-fluoro-4-propylphenoxy)methyl]pyridine;methanediol is CCCc1ccc(OCc2ccccn2)c(F)c1.OCO.
What is the InChIKey of 2-[(2-fluoro-4-propylphenoxy)methyl]pyridine;methanediol?
The InChIKey is FWPNNGAQRYYFRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO.CH4O2/c1-2-5-12-7-8-15(14(16)10-12)18-11-13-6-3-4-9-17-13;2-1-3/h3-4,6-10H,2,5,11H2,1H3;2-3H,1H2.
What are the key properties of 2-[(2-fluoro-4-propylphenoxy)methyl]pyridine;methanediol?
2-[(2-fluoro-4-propylphenoxy)methyl]pyridine;methanediol has a molecular weight of 293.34 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluoro-4-propylphenoxy)methyl]pyridine;methanediol is sourced from PubChem (CID 143451373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).