6-chloro-1,2,3,4-tetrahydrocinnoline

C8H9ClN2 — CID 117275331

IUPAC6-chloro-1,2,3,4-tetrahydrocinnoline
SMILESClc1ccc2c(c1)CCNN2
InChIInChI=1S/C8H9ClN2/c9-7-1-2-8-6(5-7)3-4-10-11-8/h1-2,5,10-11H,3-4H2
InChIKeyVKIUYRVZFTZHLW-UHFFFAOYSA-N
MW168.63 g/mol
LogP1.81
Rot. Bonds

About 6-chloro-1,2,3,4-tetrahydrocinnoline

6-chloro-1,2,3,4-tetrahydrocinnoline (PubChem CID 117275331) has the molecular formula C8H9ClN2 and a molecular weight of 168.63 g/mol. Its IUPAC name is 6-chloro-1,2,3,4-tetrahydrocinnoline.

Molecular Properties

Compound Name6-chloro-1,2,3,4-tetrahydrocinnoline
PubChem CID117275331
Molecular FormulaC8H9ClN2
Molecular Weight168.63 g/mol
Exact Mass168.05
IUPAC Name6-chloro-1,2,3,4-tetrahydrocinnoline
SMILESClc1ccc2c(c1)CCNN2
InChIInChI=1S/C8H9ClN2/c9-7-1-2-8-6(5-7)3-4-10-11-8/h1-2,5,10-11H,3-4H2
InChIKeyVKIUYRVZFTZHLW-UHFFFAOYSA-N
XLogP1.81
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.63
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-3,4-dihydro-1H-quinolin-2-one
CID 11240825
1,2,3,4-tetrahydropyrido[4,3-c]pyridazine
CID 91080089
7-chloro-1,3,4,5-tetrahydro-1-benzazepine-2-thione
CID 14978115
6-chloro-2-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline
CID 21445338
6-chloro-2-ethyl-2-methyl-3,4-dihydro-1H-quinoline
CID 84723056
2-(5-chloro-2-fluorophenyl)-1-(2,3-dihydro-1H-indol-5-yl)ethanone
CID 103052290
N-(5-chloro-2-fluorophenyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 43438489
7-chloro-4,4-dimethyl-1,2,3,5-tetrahydro-1,4-benzodiazepin-4-ium
CID 90674284
5,13-dichlorotricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene
CID 46177135
7-chloro-3,4-dihydro-2H-1λ4,2-benzothiazine 1-oxide
CID 70482773
(1S)-6-chloro-1-phenyl-1,2,3,4-tetrahydroisoquinoline
CID 96956787
3-chloro-N-(2,3-dihydro-1H-indol-5-yl)benzamide
CID 55169715

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1,2,3,4-tetrahydrocinnoline?
The IUPAC name of 6-chloro-1,2,3,4-tetrahydrocinnoline (CID 117275331) is 6-chloro-1,2,3,4-tetrahydrocinnoline.
What is the SMILES notation for 6-chloro-1,2,3,4-tetrahydrocinnoline?
The canonical SMILES for 6-chloro-1,2,3,4-tetrahydrocinnoline is Clc1ccc2c(c1)CCNN2.
What is the InChIKey of 6-chloro-1,2,3,4-tetrahydrocinnoline?
The InChIKey is VKIUYRVZFTZHLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2/c9-7-1-2-8-6(5-7)3-4-10-11-8/h1-2,5,10-11H,3-4H2.
What are the key properties of 6-chloro-1,2,3,4-tetrahydrocinnoline?
6-chloro-1,2,3,4-tetrahydrocinnoline has a molecular weight of 168.63 g/mol, XLogP of 1.81, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1,2,3,4-tetrahydrocinnoline is sourced from PubChem (CID 117275331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).