4-(2-fluoro-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-4-yl)benzene-1,2-diol;hydrochloride

C14H15ClFNO2S — CID 21162134

IUPAC4-(2-fluoro-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-4-yl)benzene-1,2-diol;hydrochloride
SMILESCN1Cc2sc(F)cc2C(c2ccc(O)c(O)c2)C1.Cl
InChIInChI=1S/C14H14FNO2S.ClH/c1-16-6-10(8-2-3-11(17)12(18)4-8)9-5-14(15)19-13(9)7-16;/h2-5,10,17-18H,6-7H2,1H3;1H
InChIKeyIYOAPKATXCSZMZ-UHFFFAOYSA-N
MW315.80 g/mol
LogP3.30
Rot. Bonds1

About 4-(2-fluoro-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-4-yl)benzene-1,2-diol;hydrochloride

4-(2-fluoro-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-4-yl)benzene-1,2-diol;hydrochloride (PubChem CID 21162134) has the molecular formula C14H15ClFNO2S and a molecular weight of 315.80 g/mol. Its IUPAC name is 4-(2-fluoro-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-4-yl)benzene-1,2-diol;hydrochloride.

Molecular Properties

Compound Name4-(2-fluoro-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-4-yl)benzene-1,2-diol;hydrochloride
PubChem CID21162134
Molecular FormulaC14H15ClFNO2S
Molecular Weight315.80 g/mol
Exact Mass315.05
IUPAC Name4-(2-fluoro-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-4-yl)benzene-1,2-diol;hydrochloride
SMILESCN1Cc2sc(F)cc2C(c2ccc(O)c(O)c2)C1.Cl
InChIInChI=1S/C14H14FNO2S.ClH/c1-16-6-10(8-2-3-11(17)12(18)4-8)9-5-14(15)19-13(9)7-16;/h2-5,10,17-18H,6-7H2,1H3;1H
InChIKeyIYOAPKATXCSZMZ-UHFFFAOYSA-N
XLogP3.30
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.80
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-4-yl)benzene-1,2-diol;hydrochloride?
The IUPAC name of 4-(2-fluoro-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-4-yl)benzene-1,2-diol;hydrochloride (CID 21162134) is 4-(2-fluoro-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-4-yl)benzene-1,2-diol;hydrochloride.
What is the SMILES notation for 4-(2-fluoro-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-4-yl)benzene-1,2-diol;hydrochloride?
The canonical SMILES for 4-(2-fluoro-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-4-yl)benzene-1,2-diol;hydrochloride is CN1Cc2sc(F)cc2C(c2ccc(O)c(O)c2)C1.Cl.
What is the InChIKey of 4-(2-fluoro-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-4-yl)benzene-1,2-diol;hydrochloride?
The InChIKey is IYOAPKATXCSZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO2S.ClH/c1-16-6-10(8-2-3-11(17)12(18)4-8)9-5-14(15)19-13(9)7-16;/h2-5,10,17-18H,6-7H2,1H3;1H.
What are the key properties of 4-(2-fluoro-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-4-yl)benzene-1,2-diol;hydrochloride?
4-(2-fluoro-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-4-yl)benzene-1,2-diol;hydrochloride has a molecular weight of 315.80 g/mol, XLogP of 3.30, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-4-yl)benzene-1,2-diol;hydrochloride is sourced from PubChem (CID 21162134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).