2-(4-chloro-6-methyl-1H-indol-3-yl)acetonitrile

C11H9ClN2 — CID 142964146

IUPAC2-(4-chloro-6-methyl-1H-indol-3-yl)acetonitrile
SMILESCc1cc(Cl)c2c(CC#N)c[nH]c2c1
InChIInChI=1S/C11H9ClN2/c1-7-4-9(12)11-8(2-3-13)6-14-10(11)5-7/h4-6,14H,2H2,1H3
InChIKeyBSHCZCXYAMZCBJ-UHFFFAOYSA-N
MW204.66 g/mol
LogP3.20
Rot. Bonds1

About 2-(4-chloro-6-methyl-1H-indol-3-yl)acetonitrile

2-(4-chloro-6-methyl-1H-indol-3-yl)acetonitrile (PubChem CID 142964146) has the molecular formula C11H9ClN2 and a molecular weight of 204.66 g/mol. Its IUPAC name is 2-(4-chloro-6-methyl-1H-indol-3-yl)acetonitrile.

Molecular Properties

Compound Name2-(4-chloro-6-methyl-1H-indol-3-yl)acetonitrile
PubChem CID142964146
Molecular FormulaC11H9ClN2
Molecular Weight204.66 g/mol
Exact Mass204.05
IUPAC Name2-(4-chloro-6-methyl-1H-indol-3-yl)acetonitrile
SMILESCc1cc(Cl)c2c(CC#N)c[nH]c2c1
InChIInChI=1S/C11H9ClN2/c1-7-4-9(12)11-8(2-3-13)6-14-10(11)5-7/h4-6,14H,2H2,1H3
InChIKeyBSHCZCXYAMZCBJ-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-(4,5-dichloro-1H-indol-3-yl)acetonitrile
CID 84789914
2-[4-methoxy-6-(2,4,6-trichlorophenyl)-1H-indol-3-yl]acetonitrile
CID 118821897
2-(2,6-dichloro-4-methylphenyl)acetonitrile
CID 119013215
2-(4-chloro-7-methoxy-1H-indol-3-yl)acetonitrile
CID 84787663
2-(6-chloro-7-methyl-1H-indol-3-yl)acetonitrile
CID 82491993
2-(5,7-dimethyl-1H-indol-3-yl)acetonitrile
CID 82490743
2-(4-bromo-1H-indol-3-yl)acetonitrile
CID 11020839
2-(4-propan-2-yloxy-1H-indol-3-yl)acetonitrile
CID 115563251
2-[2,3-bis(cyanomethyl)-5-methylphenyl]acetonitrile
CID 170886230
2-(7-chloro-1H-indol-3-yl)acetonitrile
CID 10559597
2-(5-methyl-4-nitro-1H-indol-3-yl)acetonitrile
CID 143201146
2-(5-chloro-2-methyl-1H-indol-6-yl)acetonitrile
CID 84778135

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-6-methyl-1H-indol-3-yl)acetonitrile?
The IUPAC name of 2-(4-chloro-6-methyl-1H-indol-3-yl)acetonitrile (CID 142964146) is 2-(4-chloro-6-methyl-1H-indol-3-yl)acetonitrile.
What is the SMILES notation for 2-(4-chloro-6-methyl-1H-indol-3-yl)acetonitrile?
The canonical SMILES for 2-(4-chloro-6-methyl-1H-indol-3-yl)acetonitrile is Cc1cc(Cl)c2c(CC#N)c[nH]c2c1.
What is the InChIKey of 2-(4-chloro-6-methyl-1H-indol-3-yl)acetonitrile?
The InChIKey is BSHCZCXYAMZCBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2/c1-7-4-9(12)11-8(2-3-13)6-14-10(11)5-7/h4-6,14H,2H2,1H3.
What are the key properties of 2-(4-chloro-6-methyl-1H-indol-3-yl)acetonitrile?
2-(4-chloro-6-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-(4-chloro-6-methyl-1H-indol-3-yl)acetonitrile is sourced from PubChem (CID 142964146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).