7-chloro-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole

C14H15ClN2 — CID 83678254

IUPAC7-chloro-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
SMILESCc1[nH]c2c(Cl)cccc2c1C1=CCNCC1
InChIInChI=1S/C14H15ClN2/c1-9-13(10-5-7-16-8-6-10)11-3-2-4-12(15)14(11)17-9/h2-5,16-17H,6-8H2,1H3
InChIKeyZCXIUDOMHWYHPJ-UHFFFAOYSA-N
MW246.74 g/mol
LogP3.51
Rot. Bonds1

About 7-chloro-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole

7-chloro-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole (PubChem CID 83678254) has the molecular formula C14H15ClN2 and a molecular weight of 246.74 g/mol. Its IUPAC name is 7-chloro-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole.

Molecular Properties

Compound Name7-chloro-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
PubChem CID83678254
Molecular FormulaC14H15ClN2
Molecular Weight246.74 g/mol
Exact Mass246.09
IUPAC Name7-chloro-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
SMILESCc1[nH]c2c(Cl)cccc2c1C1=CCNCC1
InChIInChI=1S/C14H15ClN2/c1-9-13(10-5-7-16-8-6-10)11-3-2-4-12(15)14(11)17-9/h2-5,16-17H,6-8H2,1H3
InChIKeyZCXIUDOMHWYHPJ-UHFFFAOYSA-N
XLogP3.51
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.74
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

7-chloro-3-methyl-4-(1,2,3,6-tetrahydropyridin-4-yl)-2H-isoquinolin-1-one
CID 11687701
7-chloro-3-iodo-2-methyl-1H-indole
CID 130049382
7-chloro-2-methyl-3-piperazin-1-yl-1H-indole
CID 82279937
2-methyl-5-methylsulfanyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
CID 73350387
7-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
CID 11310393
7-chloro-2-methyl-3-(pyrrolidin-3-ylmethyl)-1H-indole
CID 84633339
6-chloro-1,2-dimethyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole
CID 84638446
7-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
CID 18797218
1-[4-(7-chloro-2-methyl-1H-indole-3-carbonyl)piperazin-1-yl]ethanone
CID 110850320
[2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indol-5-yl] trifluoromethanesulfonate
CID 73351903
3-(7-chloro-2-methyl-1H-indol-3-yl)-1-methylpyrazole-5-carboxylic acid
CID 136986034
2-methyl-6-(1,2,3,6-tetrahydropyridin-4-yl)benzenethiol
CID 143151031

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole?
The IUPAC name of 7-chloro-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole (CID 83678254) is 7-chloro-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole.
What is the SMILES notation for 7-chloro-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole?
The canonical SMILES for 7-chloro-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole is Cc1[nH]c2c(Cl)cccc2c1C1=CCNCC1.
What is the InChIKey of 7-chloro-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole?
The InChIKey is ZCXIUDOMHWYHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2/c1-9-13(10-5-7-16-8-6-10)11-3-2-4-12(15)14(11)17-9/h2-5,16-17H,6-8H2,1H3.
What are the key properties of 7-chloro-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole?
7-chloro-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole has a molecular weight of 246.74 g/mol, XLogP of 3.51, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole is sourced from PubChem (CID 83678254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).