(5-chloro-6-iodo-1H-indol-2-yl)methanol

C9H7ClINO — CID 135396079

IUPAC(5-chloro-6-iodo-1H-indol-2-yl)methanol
SMILESOCc1cc2cc(Cl)c(I)cc2[nH]1
InChIInChI=1S/C9H7ClINO/c10-7-2-5-1-6(4-13)12-9(5)3-8(7)11/h1-3,12-13H,4H2
InChIKeySIRSTZDVFLEJIS-UHFFFAOYSA-N
MW307.52 g/mol
LogP2.92
Rot. Bonds1

About (5-chloro-6-iodo-1H-indol-2-yl)methanol

(5-chloro-6-iodo-1H-indol-2-yl)methanol (PubChem CID 135396079) has the molecular formula C9H7ClINO and a molecular weight of 307.52 g/mol. Its IUPAC name is (5-chloro-6-iodo-1H-indol-2-yl)methanol.

Molecular Properties

Compound Name(5-chloro-6-iodo-1H-indol-2-yl)methanol
PubChem CID135396079
Molecular FormulaC9H7ClINO
Molecular Weight307.52 g/mol
Exact Mass306.93
IUPAC Name(5-chloro-6-iodo-1H-indol-2-yl)methanol
SMILESOCc1cc2cc(Cl)c(I)cc2[nH]1
InChIInChI=1S/C9H7ClINO/c10-7-2-5-1-6(4-13)12-9(5)3-8(7)11/h1-3,12-13H,4H2
InChIKeySIRSTZDVFLEJIS-UHFFFAOYSA-N
XLogP2.92
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.52
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-6-iodo-1H-indol-2-yl)methanol?
The IUPAC name of (5-chloro-6-iodo-1H-indol-2-yl)methanol (CID 135396079) is (5-chloro-6-iodo-1H-indol-2-yl)methanol.
What is the SMILES notation for (5-chloro-6-iodo-1H-indol-2-yl)methanol?
The canonical SMILES for (5-chloro-6-iodo-1H-indol-2-yl)methanol is OCc1cc2cc(Cl)c(I)cc2[nH]1.
What is the InChIKey of (5-chloro-6-iodo-1H-indol-2-yl)methanol?
The InChIKey is SIRSTZDVFLEJIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClINO/c10-7-2-5-1-6(4-13)12-9(5)3-8(7)11/h1-3,12-13H,4H2.
What are the key properties of (5-chloro-6-iodo-1H-indol-2-yl)methanol?
(5-chloro-6-iodo-1H-indol-2-yl)methanol has a molecular weight of 307.52 g/mol, XLogP of 2.92, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-6-iodo-1H-indol-2-yl)methanol is sourced from PubChem (CID 135396079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).