(2R)-8-chloro-1,2,3,4-tetrahydroquinoline-2-carboxylic acid

C10H10ClNO2 — CID 96613428

IUPAC(2R)-8-chloro-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
SMILESO=C(O)[C@H]1CCc2cccc(Cl)c2N1
InChIInChI=1S/C10H10ClNO2/c11-7-3-1-2-6-4-5-8(10(13)14)12-9(6)7/h1-3,8,12H,4-5H2,(H,13,14)/t8-/m1/s1
InChIKeyFYYFZGGJDSOWDP-MRVPVSSYSA-N
MW211.65 g/mol
LogP2.15
Rot. Bonds1

About (2R)-8-chloro-1,2,3,4-tetrahydroquinoline-2-carboxylic acid

(2R)-8-chloro-1,2,3,4-tetrahydroquinoline-2-carboxylic acid (PubChem CID 96613428) has the molecular formula C10H10ClNO2 and a molecular weight of 211.65 g/mol. Its IUPAC name is (2R)-8-chloro-1,2,3,4-tetrahydroquinoline-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-8-chloro-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
PubChem CID96613428
Molecular FormulaC10H10ClNO2
Molecular Weight211.65 g/mol
Exact Mass211.04
IUPAC Name(2R)-8-chloro-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
SMILESO=C(O)[C@H]1CCc2cccc(Cl)c2N1
InChIInChI=1S/C10H10ClNO2/c11-7-3-1-2-6-4-5-8(10(13)14)12-9(6)7/h1-3,8,12H,4-5H2,(H,13,14)/t8-/m1/s1
InChIKeyFYYFZGGJDSOWDP-MRVPVSSYSA-N
XLogP2.15
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.65
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-5-chloro-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
CID 130615096
argon;1,2,3,4-tetrahydroquinoline-2-carboxylic acid
CID 158312958
(8-chloro-1,2,3,4-tetrahydroquinolin-2-yl)methanol
CID 83880243
7-hydroxy-2,3-dihydro-1H-indole-2-carboxylic acid
CID 115015319
8-fluoro-1,2,3,4-tetrahydroquinoline-2-carboxamide
CID 105447942
8-chloro-1-methyl-3,4-dihydro-2H-quinoline-2-carboxylic acid
CID 84624968
6,8-dichloro-1,2,3,4-tetrahydroquinoline-2-carbothioic S-acid
CID 173166096
[(1S,2R)-8-chloro-1-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid
CID 151291625
2,3,4,5-tetrahydro-1H-1-benzazepine-2-carboxylic acid
CID 75355585
(1R)-7-chloro-2,3-dihydro-1H-isoindole-1-carboxylic acid
CID 130707262
(2S)-7-amino-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
CID 130648417
2-(7-chloro-2,3-dihydro-1H-indol-2-yl)acetaldehyde
CID 112711575

Frequently Asked Questions

What is the IUPAC name of (2R)-8-chloro-1,2,3,4-tetrahydroquinoline-2-carboxylic acid?
The IUPAC name of (2R)-8-chloro-1,2,3,4-tetrahydroquinoline-2-carboxylic acid (CID 96613428) is (2R)-8-chloro-1,2,3,4-tetrahydroquinoline-2-carboxylic acid.
What is the SMILES notation for (2R)-8-chloro-1,2,3,4-tetrahydroquinoline-2-carboxylic acid?
The canonical SMILES for (2R)-8-chloro-1,2,3,4-tetrahydroquinoline-2-carboxylic acid is O=C(O)[C@H]1CCc2cccc(Cl)c2N1.
What is the InChIKey of (2R)-8-chloro-1,2,3,4-tetrahydroquinoline-2-carboxylic acid?
The InChIKey is FYYFZGGJDSOWDP-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H10ClNO2/c11-7-3-1-2-6-4-5-8(10(13)14)12-9(6)7/h1-3,8,12H,4-5H2,(H,13,14)/t8-/m1/s1.
What are the key properties of (2R)-8-chloro-1,2,3,4-tetrahydroquinoline-2-carboxylic acid?
(2R)-8-chloro-1,2,3,4-tetrahydroquinoline-2-carboxylic acid has a molecular weight of 211.65 g/mol, XLogP of 2.15, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-8-chloro-1,2,3,4-tetrahydroquinoline-2-carboxylic acid is sourced from PubChem (CID 96613428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).