(1R)-1-pyridin-3-yl-1,2,3,4-tetrahydroisoquinolin-6-ol

C14H14N2O — CID 93031696

IUPAC(1R)-1-pyridin-3-yl-1,2,3,4-tetrahydroisoquinolin-6-ol
SMILESOc1ccc2c(c1)CCN[C@H]2c1cccnc1
InChIInChI=1S/C14H14N2O/c17-12-3-4-13-10(8-12)5-7-16-14(13)11-2-1-6-15-9-11/h1-4,6,8-9,14,16-17H,5,7H2/t14-/m0/s1
InChIKeyZOFDCRNANURLMT-AWEZNQCLSA-N
MW226.28 g/mol
LogP2.02
Rot. Bonds1

About (1R)-1-pyridin-3-yl-1,2,3,4-tetrahydroisoquinolin-6-ol

(1R)-1-pyridin-3-yl-1,2,3,4-tetrahydroisoquinolin-6-ol (PubChem CID 93031696) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is (1R)-1-pyridin-3-yl-1,2,3,4-tetrahydroisoquinolin-6-ol.

Molecular Properties

Compound Name(1R)-1-pyridin-3-yl-1,2,3,4-tetrahydroisoquinolin-6-ol
PubChem CID93031696
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name(1R)-1-pyridin-3-yl-1,2,3,4-tetrahydroisoquinolin-6-ol
SMILESOc1ccc2c(c1)CCN[C@H]2c1cccnc1
InChIInChI=1S/C14H14N2O/c17-12-3-4-13-10(8-12)5-7-16-14(13)11-2-1-6-15-9-11/h1-4,6,8-9,14,16-17H,5,7H2/t14-/m0/s1
InChIKeyZOFDCRNANURLMT-AWEZNQCLSA-N
XLogP2.02
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-pyridin-3-yl-1,2,3,4-tetrahydro-2,7-naphthyridine
CID 83970826
1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 4669937
(1R)-1-(3-methyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 93488975
ethane;1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 145379970
1-(3-butoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 3640554
(1S)-1-(3-hydroxyphenyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol
CID 27108865
1-[4-(dimethylamino)phenyl]-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 4983618
1-(2,5-dichlorophenyl)-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 4287883
1-quinolin-2-yl-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 4000176
(1R)-1-pyridin-3-yl-2,3-dihydro-1H-isoindole
CID 177219714
(1S)-6-chloro-1-phenyl-1,2,3,4-tetrahydroisoquinoline
CID 96956787
1-(3-cyclobutylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-ol
CID 106543809

Frequently Asked Questions

What is the IUPAC name of (1R)-1-pyridin-3-yl-1,2,3,4-tetrahydroisoquinolin-6-ol?
The IUPAC name of (1R)-1-pyridin-3-yl-1,2,3,4-tetrahydroisoquinolin-6-ol (CID 93031696) is (1R)-1-pyridin-3-yl-1,2,3,4-tetrahydroisoquinolin-6-ol.
What is the SMILES notation for (1R)-1-pyridin-3-yl-1,2,3,4-tetrahydroisoquinolin-6-ol?
The canonical SMILES for (1R)-1-pyridin-3-yl-1,2,3,4-tetrahydroisoquinolin-6-ol is Oc1ccc2c(c1)CCN[C@H]2c1cccnc1.
What is the InChIKey of (1R)-1-pyridin-3-yl-1,2,3,4-tetrahydroisoquinolin-6-ol?
The InChIKey is ZOFDCRNANURLMT-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H14N2O/c17-12-3-4-13-10(8-12)5-7-16-14(13)11-2-1-6-15-9-11/h1-4,6,8-9,14,16-17H,5,7H2/t14-/m0/s1.
What are the key properties of (1R)-1-pyridin-3-yl-1,2,3,4-tetrahydroisoquinolin-6-ol?
(1R)-1-pyridin-3-yl-1,2,3,4-tetrahydroisoquinolin-6-ol has a molecular weight of 226.28 g/mol, XLogP of 2.02, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-pyridin-3-yl-1,2,3,4-tetrahydroisoquinolin-6-ol is sourced from PubChem (CID 93031696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).