(3-bromo-7-chloro-1H-indol-2-yl)methanol

C9H7BrClNO — CID 115048681

IUPAC(3-bromo-7-chloro-1H-indol-2-yl)methanol
SMILESOCc1[nH]c2c(Cl)cccc2c1Br
InChIInChI=1S/C9H7BrClNO/c10-8-5-2-1-3-6(11)9(5)12-7(8)4-13/h1-3,12-13H,4H2
InChIKeyBNVKQHWGBRGHQL-UHFFFAOYSA-N
MW260.52 g/mol
LogP3.08
Rot. Bonds1

About (3-bromo-7-chloro-1H-indol-2-yl)methanol

(3-bromo-7-chloro-1H-indol-2-yl)methanol (PubChem CID 115048681) has the molecular formula C9H7BrClNO and a molecular weight of 260.52 g/mol. Its IUPAC name is (3-bromo-7-chloro-1H-indol-2-yl)methanol.

Molecular Properties

Compound Name(3-bromo-7-chloro-1H-indol-2-yl)methanol
PubChem CID115048681
Molecular FormulaC9H7BrClNO
Molecular Weight260.52 g/mol
Exact Mass258.94
IUPAC Name(3-bromo-7-chloro-1H-indol-2-yl)methanol
SMILESOCc1[nH]c2c(Cl)cccc2c1Br
InChIInChI=1S/C9H7BrClNO/c10-8-5-2-1-3-6(11)9(5)12-7(8)4-13/h1-3,12-13H,4H2
InChIKeyBNVKQHWGBRGHQL-UHFFFAOYSA-N
XLogP3.08
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.52
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3-bromo-7-chloro-1H-indol-2-yl)methanol?
The IUPAC name of (3-bromo-7-chloro-1H-indol-2-yl)methanol (CID 115048681) is (3-bromo-7-chloro-1H-indol-2-yl)methanol.
What is the SMILES notation for (3-bromo-7-chloro-1H-indol-2-yl)methanol?
The canonical SMILES for (3-bromo-7-chloro-1H-indol-2-yl)methanol is OCc1[nH]c2c(Cl)cccc2c1Br.
What is the InChIKey of (3-bromo-7-chloro-1H-indol-2-yl)methanol?
The InChIKey is BNVKQHWGBRGHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrClNO/c10-8-5-2-1-3-6(11)9(5)12-7(8)4-13/h1-3,12-13H,4H2.
What are the key properties of (3-bromo-7-chloro-1H-indol-2-yl)methanol?
(3-bromo-7-chloro-1H-indol-2-yl)methanol has a molecular weight of 260.52 g/mol, XLogP of 3.08, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-7-chloro-1H-indol-2-yl)methanol is sourced from PubChem (CID 115048681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).