2-(6-chloro-7-methyl-1H-indol-3-yl)acetonitrile

C11H9ClN2 — CID 82491993

IUPAC2-(6-chloro-7-methyl-1H-indol-3-yl)acetonitrile
SMILESCc1c(Cl)ccc2c(CC#N)c[nH]c12
InChIInChI=1S/C11H9ClN2/c1-7-10(12)3-2-9-8(4-5-13)6-14-11(7)9/h2-3,6,14H,4H2,1H3
InChIKeyXSWQYADNJISBBA-UHFFFAOYSA-N
MW204.66 g/mol
LogP3.20
Rot. Bonds1

About 2-(6-chloro-7-methyl-1H-indol-3-yl)acetonitrile

2-(6-chloro-7-methyl-1H-indol-3-yl)acetonitrile (PubChem CID 82491993) has the molecular formula C11H9ClN2 and a molecular weight of 204.66 g/mol. Its IUPAC name is 2-(6-chloro-7-methyl-1H-indol-3-yl)acetonitrile.

Molecular Properties

Compound Name2-(6-chloro-7-methyl-1H-indol-3-yl)acetonitrile
PubChem CID82491993
Molecular FormulaC11H9ClN2
Molecular Weight204.66 g/mol
Exact Mass204.05
IUPAC Name2-(6-chloro-7-methyl-1H-indol-3-yl)acetonitrile
SMILESCc1c(Cl)ccc2c(CC#N)c[nH]c12
InChIInChI=1S/C11H9ClN2/c1-7-10(12)3-2-9-8(4-5-13)6-14-11(7)9/h2-3,6,14H,4H2,1H3
InChIKeyXSWQYADNJISBBA-UHFFFAOYSA-N
XLogP3.20
TPSA39.58 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.66
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(7-chloro-1H-indol-3-yl)acetonitrile
CID 10559597
3-(6-chloro-7-methyl-1H-indol-3-yl)propan-1-amine
CID 3925639
2-(4-chloro-7-methoxy-1H-indol-3-yl)acetonitrile
CID 84787663
2-(5,7-dimethyl-1H-indol-3-yl)acetonitrile
CID 82490743
2-(7-methoxy-1H-indol-3-yl)acetonitrile
CID 604224
methyl 3-(cyanomethyl)-1H-indole-7-carboxylate
CID 909098
[1-(6-chloro-7-methyl-1H-indol-3-yl)cyclopropyl]methanamine
CID 82496496
2-(4,5-dichloro-1H-indol-3-yl)acetonitrile
CID 84789914
2-(4-chloro-6-methyl-1H-indol-3-yl)acetonitrile
CID 142964146
2-(4-bromo-7-methyl-1H-indol-3-yl)acetonitrile
CID 130049663
3-acetyl-7-chloro-8-methyl-1H-quinolin-4-one
CID 46398194
methyl 2-(6-chloro-7-methyl-1H-indol-3-yl)-2-oxoacetate
CID 84742082

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-7-methyl-1H-indol-3-yl)acetonitrile?
The IUPAC name of 2-(6-chloro-7-methyl-1H-indol-3-yl)acetonitrile (CID 82491993) is 2-(6-chloro-7-methyl-1H-indol-3-yl)acetonitrile.
What is the SMILES notation for 2-(6-chloro-7-methyl-1H-indol-3-yl)acetonitrile?
The canonical SMILES for 2-(6-chloro-7-methyl-1H-indol-3-yl)acetonitrile is Cc1c(Cl)ccc2c(CC#N)c[nH]c12.
What is the InChIKey of 2-(6-chloro-7-methyl-1H-indol-3-yl)acetonitrile?
The InChIKey is XSWQYADNJISBBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2/c1-7-10(12)3-2-9-8(4-5-13)6-14-11(7)9/h2-3,6,14H,4H2,1H3.
What are the key properties of 2-(6-chloro-7-methyl-1H-indol-3-yl)acetonitrile?
2-(6-chloro-7-methyl-1H-indol-3-yl)acetonitrile has a molecular weight of 204.66 g/mol, XLogP of 3.20, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-7-methyl-1H-indol-3-yl)acetonitrile is sourced from PubChem (CID 82491993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).