(3-chloro-4-pyridinyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol

C15H15ClN2O — CID 105111318

IUPAC(3-chloro-4-pyridinyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol
SMILESOC(c1ccncc1Cl)C1CCCc2cccnc21
InChIInChI=1S/C15H15ClN2O/c16-13-9-17-8-6-11(13)15(19)12-5-1-3-10-4-2-7-18-14(10)12/h2,4,6-9,12,15,19H,1,3,5H2
InChIKeyLLNLONHCJUIYJH-UHFFFAOYSA-N
MW274.75 g/mol
LogP3.28
Rot. Bonds2

About (3-chloro-4-pyridinyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol

(3-chloro-4-pyridinyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol (PubChem CID 105111318) has the molecular formula C15H15ClN2O and a molecular weight of 274.75 g/mol. Its IUPAC name is (3-chloro-4-pyridinyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol.

Molecular Properties

Compound Name(3-chloro-4-pyridinyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol
PubChem CID105111318
Molecular FormulaC15H15ClN2O
Molecular Weight274.75 g/mol
Exact Mass274.09
IUPAC Name(3-chloro-4-pyridinyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol
SMILESOC(c1ccncc1Cl)C1CCCc2cccnc21
InChIInChI=1S/C15H15ClN2O/c16-13-9-17-8-6-11(13)15(19)12-5-1-3-10-4-2-7-18-14(10)12/h2,4,6-9,12,15,19H,1,3,5H2
InChIKeyLLNLONHCJUIYJH-UHFFFAOYSA-N
XLogP3.28
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,5-dichlorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol
CID 115818219
N-[(3-chloro-4-pyridinyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methyl]ethanamine
CID 105164741
(5-chloro-2-methylphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol
CID 115818347
pyrazolo[1,5-a]pyrazin-3-yl(5,6,7,8-tetrahydroquinolin-8-yl)methanol
CID 103129014
phenyl(5,6,7,8-tetrahydroquinolin-8-yl)methanol
CID 79739489
1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanol
CID 79739208
(8R)-8-propan-2-yl-5,6,7,8-tetrahydroquinoline
CID 58752937
(5-fluoro-3-pyridinyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol
CID 105111410
(2,6-difluorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol
CID 79739199
[2-(methoxymethyl)phenyl]-(5,6,7,8-tetrahydroquinolin-8-yl)methanol
CID 79721807
N-[(3-chloro-4-pyridinyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]propan-1-amine
CID 105166117
(3-aminophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol
CID 106695855

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-pyridinyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol?
The IUPAC name of (3-chloro-4-pyridinyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol (CID 105111318) is (3-chloro-4-pyridinyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol.
What is the SMILES notation for (3-chloro-4-pyridinyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol?
The canonical SMILES for (3-chloro-4-pyridinyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol is OC(c1ccncc1Cl)C1CCCc2cccnc21.
What is the InChIKey of (3-chloro-4-pyridinyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol?
The InChIKey is LLNLONHCJUIYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O/c16-13-9-17-8-6-11(13)15(19)12-5-1-3-10-4-2-7-18-14(10)12/h2,4,6-9,12,15,19H,1,3,5H2.
What are the key properties of (3-chloro-4-pyridinyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol?
(3-chloro-4-pyridinyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol has a molecular weight of 274.75 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-pyridinyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol is sourced from PubChem (CID 105111318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).