4-chloro-5-hydroxy-2-methyl-1H-indole-3-carbonitrile

C10H7ClN2O — CID 84674723

IUPAC4-chloro-5-hydroxy-2-methyl-1H-indole-3-carbonitrile
SMILESCc1[nH]c2ccc(O)c(Cl)c2c1C#N
InChIInChI=1S/C10H7ClN2O/c1-5-6(4-12)9-7(13-5)2-3-8(14)10(9)11/h2-3,13-14H,1H3
InChIKeyUSQUXRLVBVCKMM-UHFFFAOYSA-N
MW206.63 g/mol
LogP2.71
Rot. Bonds

About 4-chloro-5-hydroxy-2-methyl-1H-indole-3-carbonitrile

4-chloro-5-hydroxy-2-methyl-1H-indole-3-carbonitrile (PubChem CID 84674723) has the molecular formula C10H7ClN2O and a molecular weight of 206.63 g/mol. Its IUPAC name is 4-chloro-5-hydroxy-2-methyl-1H-indole-3-carbonitrile.

Molecular Properties

Compound Name4-chloro-5-hydroxy-2-methyl-1H-indole-3-carbonitrile
PubChem CID84674723
Molecular FormulaC10H7ClN2O
Molecular Weight206.63 g/mol
Exact Mass206.02
IUPAC Name4-chloro-5-hydroxy-2-methyl-1H-indole-3-carbonitrile
SMILESCc1[nH]c2ccc(O)c(Cl)c2c1C#N
InChIInChI=1S/C10H7ClN2O/c1-5-6(4-12)9-7(13-5)2-3-8(14)10(9)11/h2-3,13-14H,1H3
InChIKeyUSQUXRLVBVCKMM-UHFFFAOYSA-N
XLogP2.71
TPSA59.81 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.63
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(aminomethyl)-4-chloro-2-methyl-1H-indol-5-ol
CID 84678039
2-chloro-6-fluoro-3-hydroxybenzonitrile
CID 83410418
3,6-dihydroxy-2-methylbenzonitrile
CID 130033586
7-chloro-4-methoxy-2-methyl-1H-indole-3-carbonitrile
CID 82494210
3,6-dihydroxybenzene-1,2-dicarbonitrile;3,6-dimethylbenzene-1,2-dicarbonitrile
CID 169425543
4-chloro-3-cyano-5-methyl-1H-pyrrole-2-carboxylic acid
CID 59402574
4-chloro-2-ethyl-5-hydroxy-1H-indole-3-carboxylic acid
CID 84701518
1-chloro-2-hydroxy-10H-acridin-9-one
CID 131713832
methyl 2-(4-cyano-5-methoxy-2-methyl-1H-indol-3-yl)acetate
CID 46216285
4-chloro-2-cyclopropyl-5-hydroxy-1H-indole-3-carbaldehyde
CID 84699097
3-chloro-2-(2,4-dimethylpyrimidin-5-yl)-5-(3-hydroxy-2,6-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile
CID 177130130
2-(5-hydroxy-2,3-dimethyl-1H-indol-4-yl)ethanesulfonyl chloride
CID 84814114

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-hydroxy-2-methyl-1H-indole-3-carbonitrile?
The IUPAC name of 4-chloro-5-hydroxy-2-methyl-1H-indole-3-carbonitrile (CID 84674723) is 4-chloro-5-hydroxy-2-methyl-1H-indole-3-carbonitrile.
What is the SMILES notation for 4-chloro-5-hydroxy-2-methyl-1H-indole-3-carbonitrile?
The canonical SMILES for 4-chloro-5-hydroxy-2-methyl-1H-indole-3-carbonitrile is Cc1[nH]c2ccc(O)c(Cl)c2c1C#N.
What is the InChIKey of 4-chloro-5-hydroxy-2-methyl-1H-indole-3-carbonitrile?
The InChIKey is USQUXRLVBVCKMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2O/c1-5-6(4-12)9-7(13-5)2-3-8(14)10(9)11/h2-3,13-14H,1H3.
What are the key properties of 4-chloro-5-hydroxy-2-methyl-1H-indole-3-carbonitrile?
4-chloro-5-hydroxy-2-methyl-1H-indole-3-carbonitrile has a molecular weight of 206.63 g/mol, XLogP of 2.71, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-hydroxy-2-methyl-1H-indole-3-carbonitrile is sourced from PubChem (CID 84674723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).