(2,6-dichloro-7-methyl-1H-indol-3-yl)methanol

C10H9Cl2NO — CID 82269427

IUPAC(2,6-dichloro-7-methyl-1H-indol-3-yl)methanol
SMILESCc1c(Cl)ccc2c(CO)c(Cl)[nH]c12
InChIInChI=1S/C10H9Cl2NO/c1-5-8(11)3-2-6-7(4-14)10(12)13-9(5)6/h2-3,13-14H,4H2,1H3
InChIKeyAHLCZYDQMWPAGM-UHFFFAOYSA-N
MW230.09 g/mol
LogP3.28
Rot. Bonds1

About (2,6-dichloro-7-methyl-1H-indol-3-yl)methanol

(2,6-dichloro-7-methyl-1H-indol-3-yl)methanol (PubChem CID 82269427) has the molecular formula C10H9Cl2NO and a molecular weight of 230.09 g/mol. Its IUPAC name is (2,6-dichloro-7-methyl-1H-indol-3-yl)methanol.

Molecular Properties

Compound Name(2,6-dichloro-7-methyl-1H-indol-3-yl)methanol
PubChem CID82269427
Molecular FormulaC10H9Cl2NO
Molecular Weight230.09 g/mol
Exact Mass229.01
IUPAC Name(2,6-dichloro-7-methyl-1H-indol-3-yl)methanol
SMILESCc1c(Cl)ccc2c(CO)c(Cl)[nH]c12
InChIInChI=1S/C10H9Cl2NO/c1-5-8(11)3-2-6-7(4-14)10(12)13-9(5)6/h2-3,13-14H,4H2,1H3
InChIKeyAHLCZYDQMWPAGM-UHFFFAOYSA-N
XLogP3.28
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.09
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2,6-dichloro-7-methyl-1H-indol-3-yl)methanol?
The IUPAC name of (2,6-dichloro-7-methyl-1H-indol-3-yl)methanol (CID 82269427) is (2,6-dichloro-7-methyl-1H-indol-3-yl)methanol.
What is the SMILES notation for (2,6-dichloro-7-methyl-1H-indol-3-yl)methanol?
The canonical SMILES for (2,6-dichloro-7-methyl-1H-indol-3-yl)methanol is Cc1c(Cl)ccc2c(CO)c(Cl)[nH]c12.
What is the InChIKey of (2,6-dichloro-7-methyl-1H-indol-3-yl)methanol?
The InChIKey is AHLCZYDQMWPAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2NO/c1-5-8(11)3-2-6-7(4-14)10(12)13-9(5)6/h2-3,13-14H,4H2,1H3.
What are the key properties of (2,6-dichloro-7-methyl-1H-indol-3-yl)methanol?
(2,6-dichloro-7-methyl-1H-indol-3-yl)methanol has a molecular weight of 230.09 g/mol, XLogP of 3.28, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dichloro-7-methyl-1H-indol-3-yl)methanol is sourced from PubChem (CID 82269427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).