[5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-2-yl]methanol

C16H15F2NO2 — CID 151236789

IUPAC[5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-2-yl]methanol
SMILESCC1Cc2c(-c3ccc(F)cc3F)ccnc2OC1CO
InChIInChI=1S/C16H15F2NO2/c1-9-6-13-11(12-3-2-10(17)7-14(12)18)4-5-19-16(13)21-15(9)8-20/h2-5,7,9,15,20H,6,8H2,1H3
InChIKeyNPLDWYUCLQBNKU-UHFFFAOYSA-N
MW291.30 g/mol
LogP2.96
Rot. Bonds2

About [5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-2-yl]methanol

[5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-2-yl]methanol (PubChem CID 151236789) has the molecular formula C16H15F2NO2 and a molecular weight of 291.30 g/mol. Its IUPAC name is [5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-2-yl]methanol.

Molecular Properties

Compound Name[5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-2-yl]methanol
PubChem CID151236789
Molecular FormulaC16H15F2NO2
Molecular Weight291.30 g/mol
Exact Mass291.11
IUPAC Name[5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-2-yl]methanol
SMILESCC1Cc2c(-c3ccc(F)cc3F)ccnc2OC1CO
InChIInChI=1S/C16H15F2NO2/c1-9-6-13-11(12-3-2-10(17)7-14(12)18)4-5-19-16(13)21-15(9)8-20/h2-5,7,9,15,20H,6,8H2,1H3
InChIKeyNPLDWYUCLQBNKU-UHFFFAOYSA-N
XLogP2.96
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-2-yl]methanol with MolForge

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Related Compounds

(2R,3S)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine
CID 175737847
[7-chloro-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-2-yl]methanol;ethanol;ethyl 5-(2,4-difluorophenyl)-2-(hydroxymethyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxylate;methane
CID 159375629
[7-chloro-5-(4-ethyl-2-fluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-2-yl]methanol
CID 142316464
(2R,3S)-5-(2-fluoro-4-methylphenyl)-2-(hydroxymethyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide
CID 134396409
2,2-difluoro-2-fluorosulfonylacetic acid;ethyl 2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxylate;ethyl 5-(2,4-difluorophenyl)-2-(hydroxymethyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxylate
CID 157137166
7-(2,4-difluorophenyl)-2-methyl-2,3-dihydro-1-benzofuran
CID 69108495
(2R)-5-(2,4-difluorophenyl)-2-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;(2S)-5-(2,4-difluorophenyl)-2-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide
CID 159230599
[5-(2,4-difluorophenyl)-3-ethyl-2-methyl-3,4-dihydropyran-2-yl]methanol
CID 153410052
1-[(2S)-5-(2,4-difluorophenyl)-2-(fluoromethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethenamine
CID 134396261
5-(2,4-difluorophenyl)-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide
CID 134363734
[(2R)-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyran-2-yl]methanol
CID 175232862
[(2S)-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyran-2-yl]methanol
CID 153410093

Frequently Asked Questions

What is the IUPAC name of [5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-2-yl]methanol?
The IUPAC name of [5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-2-yl]methanol (CID 151236789) is [5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-2-yl]methanol.
What is the SMILES notation for [5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-2-yl]methanol?
The canonical SMILES for [5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-2-yl]methanol is CC1Cc2c(-c3ccc(F)cc3F)ccnc2OC1CO.
What is the InChIKey of [5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-2-yl]methanol?
The InChIKey is NPLDWYUCLQBNKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO2/c1-9-6-13-11(12-3-2-10(17)7-14(12)18)4-5-19-16(13)21-15(9)8-20/h2-5,7,9,15,20H,6,8H2,1H3.
What are the key properties of [5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-2-yl]methanol?
[5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-2-yl]methanol has a molecular weight of 291.30 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-2-yl]methanol is sourced from PubChem (CID 151236789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).