5-(2-amino-1-hydroxyethyl)-7-(3-chloro-4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-3-ol

C16H16ClFN2O3 — CID 134318749

IUPAC5-(2-amino-1-hydroxyethyl)-7-(3-chloro-4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-3-ol
SMILESCC1(O)COc2c1cc(C(O)CN)nc2-c1ccc(F)c(Cl)c1
InChIInChI=1S/C16H16ClFN2O3/c1-16(22)7-23-15-9(16)5-12(13(21)6-19)20-14(15)8-2-3-11(18)10(17)4-8/h2-5,13,21-22H,6-7,19H2,1H3
InChIKeyHHPFYZQAQCFYSD-UHFFFAOYSA-N
MW338.77 g/mol
LogP2.13
Rot. Bonds3

About 5-(2-amino-1-hydroxyethyl)-7-(3-chloro-4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-3-ol

5-(2-amino-1-hydroxyethyl)-7-(3-chloro-4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-3-ol (PubChem CID 134318749) has the molecular formula C16H16ClFN2O3 and a molecular weight of 338.77 g/mol. Its IUPAC name is 5-(2-amino-1-hydroxyethyl)-7-(3-chloro-4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-3-ol.

Molecular Properties

Compound Name5-(2-amino-1-hydroxyethyl)-7-(3-chloro-4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-3-ol
PubChem CID134318749
Molecular FormulaC16H16ClFN2O3
Molecular Weight338.77 g/mol
Exact Mass338.08
IUPAC Name5-(2-amino-1-hydroxyethyl)-7-(3-chloro-4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-3-ol
SMILESCC1(O)COc2c1cc(C(O)CN)nc2-c1ccc(F)c(Cl)c1
InChIInChI=1S/C16H16ClFN2O3/c1-16(22)7-23-15-9(16)5-12(13(21)6-19)20-14(15)8-2-3-11(18)10(17)4-8/h2-5,13,21-22H,6-7,19H2,1H3
InChIKeyHHPFYZQAQCFYSD-UHFFFAOYSA-N
XLogP2.13
TPSA88.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.77
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-(2-amino-1-hydroxyethyl)-7-(3-chloro-4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-3-ol with MolForge

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Related Compounds

ethane;7-(4-fluoro-3-methylphenyl)-3-hydroxy-3-methyl-2H-furo[2,3-c]pyridine-5-carbaldehyde
CID 144796166
CID 144796268
CID 144796268
2-[3,3-dimethyl-7-(2,4,5-trifluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-2-phenylethanamine
CID 169234153
2,2,2-trifluoro-1-[7-(4-fluorophenyl)-3-(iodomethyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]ethanol
CID 156872788
1-[7-(3-chloro-4-fluorophenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butane-1,4-dione
CID 159935094
2-bromo-1-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]ethanol
CID 90061819
4-[7-(3-chloro-4-fluorophenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-hydroxypentan-1-one
CID 161296748
7-(3-chloro-4-fluorophenyl)-5-[1-cyclopropyl-2-(methylamino)ethyl]-2,3-dihydrofuro[2,3-c]pyridine-3-carboxamide
CID 169241274
3,5-dichloro-6-(3-chloro-4-fluorophenyl)-N-ethylpyridin-2-amine
CID 102753798
2-[5-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 82880062
2-amino-1-[4-(3,4-difluorophenyl)phenyl]ethanol
CID 82296845
(1S)-3-amino-1-(3-chloro-4-fluorophenyl)propan-1-ol
CID 96845808

Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-1-hydroxyethyl)-7-(3-chloro-4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-3-ol?
The IUPAC name of 5-(2-amino-1-hydroxyethyl)-7-(3-chloro-4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-3-ol (CID 134318749) is 5-(2-amino-1-hydroxyethyl)-7-(3-chloro-4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-3-ol.
What is the SMILES notation for 5-(2-amino-1-hydroxyethyl)-7-(3-chloro-4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-3-ol?
The canonical SMILES for 5-(2-amino-1-hydroxyethyl)-7-(3-chloro-4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-3-ol is CC1(O)COc2c1cc(C(O)CN)nc2-c1ccc(F)c(Cl)c1.
What is the InChIKey of 5-(2-amino-1-hydroxyethyl)-7-(3-chloro-4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-3-ol?
The InChIKey is HHPFYZQAQCFYSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN2O3/c1-16(22)7-23-15-9(16)5-12(13(21)6-19)20-14(15)8-2-3-11(18)10(17)4-8/h2-5,13,21-22H,6-7,19H2,1H3.
What are the key properties of 5-(2-amino-1-hydroxyethyl)-7-(3-chloro-4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-3-ol?
5-(2-amino-1-hydroxyethyl)-7-(3-chloro-4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-3-ol has a molecular weight of 338.77 g/mol, XLogP of 2.13, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-1-hydroxyethyl)-7-(3-chloro-4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-3-ol is sourced from PubChem (CID 134318749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).