[7-chloro-5-(4-ethyl-2-fluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-2-yl]methanol

C17H17ClFNO2 — CID 142316353

IUPAC[7-chloro-5-(4-ethyl-2-fluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-2-yl]methanol
SMILESCCc1ccc(-c2cc(Cl)nc3c2CCC(CO)O3)c(F)c1
InChIInChI=1S/C17H17ClFNO2/c1-2-10-3-5-12(15(19)7-10)14-8-16(18)20-17-13(14)6-4-11(9-21)22-17/h3,5,7-8,11,21H,2,4,6,9H2,1H3
InChIKeyYQOLRBSXEIASSN-UHFFFAOYSA-N
MW321.78 g/mol
LogP3.79
Rot. Bonds3

About [7-chloro-5-(4-ethyl-2-fluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-2-yl]methanol

[7-chloro-5-(4-ethyl-2-fluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-2-yl]methanol (PubChem CID 142316353) has the molecular formula C17H17ClFNO2 and a molecular weight of 321.78 g/mol. Its IUPAC name is [7-chloro-5-(4-ethyl-2-fluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-2-yl]methanol.

Molecular Properties

Compound Name[7-chloro-5-(4-ethyl-2-fluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-2-yl]methanol
PubChem CID142316353
Molecular FormulaC17H17ClFNO2
Molecular Weight321.78 g/mol
Exact Mass321.09
IUPAC Name[7-chloro-5-(4-ethyl-2-fluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-2-yl]methanol
SMILESCCc1ccc(-c2cc(Cl)nc3c2CCC(CO)O3)c(F)c1
InChIInChI=1S/C17H17ClFNO2/c1-2-10-3-5-12(15(19)7-10)14-8-16(18)20-17-13(14)6-4-11(9-21)22-17/h3,5,7-8,11,21H,2,4,6,9H2,1H3
InChIKeyYQOLRBSXEIASSN-UHFFFAOYSA-N
XLogP3.79
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.78
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(2R)-1-[4-(3-chloro-4-fluorophenyl)phenoxy]-4-pyridin-3-ylbutan-2-ol
CID 53716853
(2S)-1-[4-(3-chloro-4-fluorophenyl)phenoxy]-4-pyridin-3-ylbutan-2-ol
CID 57007713
(3R,4S)-4-[4-(4-chloro-2-fluorophenyl)phenoxy]-1-pyridin-3-ylpentan-3-ol
CID 57322722
3-Chloro-8-fluoro-1-phenylmethoxyisoquinoline
CID 87692625
CID 90372561
CID 90372561
7-chloro-2-(2'-fluoro-5'-methoxy-[1,1'-biphenyl]-4-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine
CID 90372667
7-chloro-2-[4-(2-fluoro-5-methylphenyl)phenyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine
CID 118638040
ethyl 7-chloro-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-2-carboxylate
CID 134363705
7-chloro-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-2-carboxylic acid
CID 134363706
[7-Chloro-5-(2,4-difluorophenyl)-2-methyl-3,4-dihydropyrano[2,3-b]pyridin-2-yl]methanol
CID 134363714
N-[[7-chloro-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-2-yl]methyl]-2,2,2-trifluoro-N-methylethanamine
CID 134363730
ethyl 7-chloro-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-2-carboxylate
CID 134363752

Frequently Asked Questions

What is the IUPAC name of [7-chloro-5-(4-ethyl-2-fluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-2-yl]methanol?
The IUPAC name of [7-chloro-5-(4-ethyl-2-fluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-2-yl]methanol (CID 142316353) is [7-chloro-5-(4-ethyl-2-fluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-2-yl]methanol.
What is the SMILES notation for [7-chloro-5-(4-ethyl-2-fluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-2-yl]methanol?
The canonical SMILES for [7-chloro-5-(4-ethyl-2-fluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-2-yl]methanol is CCc1ccc(-c2cc(Cl)nc3c2CCC(CO)O3)c(F)c1.
What is the InChIKey of [7-chloro-5-(4-ethyl-2-fluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-2-yl]methanol?
The InChIKey is YQOLRBSXEIASSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFNO2/c1-2-10-3-5-12(15(19)7-10)14-8-16(18)20-17-13(14)6-4-11(9-21)22-17/h3,5,7-8,11,21H,2,4,6,9H2,1H3.
What are the key properties of [7-chloro-5-(4-ethyl-2-fluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-2-yl]methanol?
[7-chloro-5-(4-ethyl-2-fluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-2-yl]methanol has a molecular weight of 321.78 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [7-chloro-5-(4-ethyl-2-fluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-2-yl]methanol is sourced from PubChem (CID 142316353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).