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

C18H19ClFNO2 — CID 142316464

IUPAC[7-chloro-5-(4-ethyl-2-fluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-2-yl]methanol
SMILESCCc1ccc(-c2cc(Cl)nc3c2CC(C)C(CO)O3)c(F)c1
InChIInChI=1S/C18H19ClFNO2/c1-3-11-4-5-12(15(20)7-11)13-8-17(19)21-18-14(13)6-10(2)16(9-22)23-18/h4-5,7-8,10,16,22H,3,6,9H2,1-2H3
InChIKeyKUISFMJYYKAJKP-UHFFFAOYSA-N
MW335.81 g/mol
LogP4.04
Rot. Bonds3

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

[7-chloro-5-(4-ethyl-2-fluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-2-yl]methanol (PubChem CID 142316464) has the molecular formula C18H19ClFNO2 and a molecular weight of 335.81 g/mol. Its IUPAC name is [7-chloro-5-(4-ethyl-2-fluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-2-yl]methanol.

Molecular Properties

Compound Name[7-chloro-5-(4-ethyl-2-fluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-2-yl]methanol
PubChem CID142316464
Molecular FormulaC18H19ClFNO2
Molecular Weight335.81 g/mol
Exact Mass335.11
IUPAC Name[7-chloro-5-(4-ethyl-2-fluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-2-yl]methanol
SMILESCCc1ccc(-c2cc(Cl)nc3c2CC(C)C(CO)O3)c(F)c1
InChIInChI=1S/C18H19ClFNO2/c1-3-11-4-5-12(15(20)7-11)13-8-17(19)21-18-14(13)6-10(2)16(9-22)23-18/h4-5,7-8,10,16,22H,3,6,9H2,1-2H3
InChIKeyKUISFMJYYKAJKP-UHFFFAOYSA-N
XLogP4.04
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.81
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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

[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)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-2-yl]methanol
CID 142316353
(2R,3S)-5-(2-fluoro-4-methylphenyl)-2-(hydroxymethyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide
CID 134396409
[5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-2-yl]methanol
CID 151236789
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
3-[2,6-dichloro-4-(4-ethyl-2-fluorophenyl)-3-pyridinyl]propanal
CID 134396510
7-chloro-5-(2-fluoro-4-methylphenyl)-N-methoxy-N-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-2-carboxamide
CID 134396255
(2R,3S)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine
CID 175737847
4-ethyl-1-[4-(4-ethylphenyl)phenyl]-2-fluorobenzene
CID 129263989
5-(4-ethyl-2-fluorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-7-carboxamide
CID 149237443
4-(1-ethoxyethenyl)-6-(4-ethyl-2-fluorophenyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene
CID 142316479
1-chloro-4-ethyl-2-fluorobenzene
CID 18711819

Frequently Asked Questions

What is the IUPAC name of [7-chloro-5-(4-ethyl-2-fluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-2-yl]methanol?
The IUPAC name of [7-chloro-5-(4-ethyl-2-fluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-2-yl]methanol (CID 142316464) is [7-chloro-5-(4-ethyl-2-fluorophenyl)-3-methyl-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-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-2-yl]methanol?
The canonical SMILES for [7-chloro-5-(4-ethyl-2-fluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-2-yl]methanol is CCc1ccc(-c2cc(Cl)nc3c2CC(C)C(CO)O3)c(F)c1.
What is the InChIKey of [7-chloro-5-(4-ethyl-2-fluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-2-yl]methanol?
The InChIKey is KUISFMJYYKAJKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClFNO2/c1-3-11-4-5-12(15(20)7-11)13-8-17(19)21-18-14(13)6-10(2)16(9-22)23-18/h4-5,7-8,10,16,22H,3,6,9H2,1-2H3.
What are the key properties of [7-chloro-5-(4-ethyl-2-fluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-2-yl]methanol?
[7-chloro-5-(4-ethyl-2-fluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-2-yl]methanol has a molecular weight of 335.81 g/mol, XLogP of 4.04, 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-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-2-yl]methanol is sourced from PubChem (CID 142316464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).