[7-chloro-5-(2,4-difluorophenyl)-2-methyl-3,4-dihydropyrano[2,3-b]pyridin-2-yl]methanol

C16H14ClF2NO2 — CID 134363714

IUPAC[7-chloro-5-(2,4-difluorophenyl)-2-methyl-3,4-dihydropyrano[2,3-b]pyridin-2-yl]methanol
SMILESCC1(CO)CCc2c(-c3ccc(F)cc3F)cc(Cl)nc2O1
InChIInChI=1S/C16H14ClF2NO2/c1-16(8-21)5-4-11-12(7-14(17)20-15(11)22-16)10-3-2-9(18)6-13(10)19/h2-3,6-7,21H,4-5,8H2,1H3
InChIKeyXUDPHLHDSVFIJG-UHFFFAOYSA-N
MW325.74 g/mol
LogP3.76
Rot. Bonds2

About [7-chloro-5-(2,4-difluorophenyl)-2-methyl-3,4-dihydropyrano[2,3-b]pyridin-2-yl]methanol

[7-chloro-5-(2,4-difluorophenyl)-2-methyl-3,4-dihydropyrano[2,3-b]pyridin-2-yl]methanol (PubChem CID 134363714) has the molecular formula C16H14ClF2NO2 and a molecular weight of 325.74 g/mol. Its IUPAC name is [7-chloro-5-(2,4-difluorophenyl)-2-methyl-3,4-dihydropyrano[2,3-b]pyridin-2-yl]methanol.

Molecular Properties

Compound Name[7-chloro-5-(2,4-difluorophenyl)-2-methyl-3,4-dihydropyrano[2,3-b]pyridin-2-yl]methanol
PubChem CID134363714
Molecular FormulaC16H14ClF2NO2
Molecular Weight325.74 g/mol
Exact Mass325.07
IUPAC Name[7-chloro-5-(2,4-difluorophenyl)-2-methyl-3,4-dihydropyrano[2,3-b]pyridin-2-yl]methanol
SMILESCC1(CO)CCc2c(-c3ccc(F)cc3F)cc(Cl)nc2O1
InChIInChI=1S/C16H14ClF2NO2/c1-16(8-21)5-4-11-12(7-14(17)20-15(11)22-16)10-3-2-9(18)6-13(10)19/h2-3,6-7,21H,4-5,8H2,1H3
InChIKeyXUDPHLHDSVFIJG-UHFFFAOYSA-N
XLogP3.76
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.74
LogP ≤ 53.76
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-(2,4-difluorophenyl)-2-methyl-3,4-dihydropyrano[2,3-b]pyridin-2-yl]methanol with MolForge

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Related Compounds

2H-Pyrano(2,3-b)pyridine, 7-chloro-3,4-dihydro-
CID 56958303
3-(2-Chloro-4-fluorophenyl)-2-(2-chloro-6-methoxypyridin-4-yl)-1,1,1-trifluorobutan-2-ol
CID 25253665
5-Chloro-1-fluoro-3-(2-methoxyethoxy)isoquinoline
CID 70978278
2-Chloro-6-(2-(3-fluorophenyl)ethoxy)pyridine
CID 86649742
2-Chloro-6-[2-[3-(trifluoromethyl)phenyl]ethoxy]pyridine
CID 87181404
3-Chloro-8-fluoro-1-phenylmethoxyisoquinoline
CID 87692625
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
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-(2,4-difluorophenyl)-2-methyl-3,4-dihydropyrano[2,3-b]pyridin-2-yl]methanol?
The IUPAC name of [7-chloro-5-(2,4-difluorophenyl)-2-methyl-3,4-dihydropyrano[2,3-b]pyridin-2-yl]methanol (CID 134363714) is [7-chloro-5-(2,4-difluorophenyl)-2-methyl-3,4-dihydropyrano[2,3-b]pyridin-2-yl]methanol.
What is the SMILES notation for [7-chloro-5-(2,4-difluorophenyl)-2-methyl-3,4-dihydropyrano[2,3-b]pyridin-2-yl]methanol?
The canonical SMILES for [7-chloro-5-(2,4-difluorophenyl)-2-methyl-3,4-dihydropyrano[2,3-b]pyridin-2-yl]methanol is CC1(CO)CCc2c(-c3ccc(F)cc3F)cc(Cl)nc2O1.
What is the InChIKey of [7-chloro-5-(2,4-difluorophenyl)-2-methyl-3,4-dihydropyrano[2,3-b]pyridin-2-yl]methanol?
The InChIKey is XUDPHLHDSVFIJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF2NO2/c1-16(8-21)5-4-11-12(7-14(17)20-15(11)22-16)10-3-2-9(18)6-13(10)19/h2-3,6-7,21H,4-5,8H2,1H3.
What are the key properties of [7-chloro-5-(2,4-difluorophenyl)-2-methyl-3,4-dihydropyrano[2,3-b]pyridin-2-yl]methanol?
[7-chloro-5-(2,4-difluorophenyl)-2-methyl-3,4-dihydropyrano[2,3-b]pyridin-2-yl]methanol has a molecular weight of 325.74 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [7-chloro-5-(2,4-difluorophenyl)-2-methyl-3,4-dihydropyrano[2,3-b]pyridin-2-yl]methanol is sourced from PubChem (CID 134363714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).