(5,7-dichloro-6-methoxy-1H-indol-2-yl)methylazanium

C10H11Cl2N2O+ — CID 171731847

IUPAC(5,7-dichloro-6-methoxy-1H-indol-2-yl)methylazanium
SMILESCOc1c(Cl)cc2cc(C[NH3+])[nH]c2c1Cl
InChIInChI=1S/C10H10Cl2N2O/c1-15-10-7(11)3-5-2-6(4-13)14-9(5)8(10)12/h2-3,14H,4,13H2,1H3/p+1
InChIKeyVBGSVEWOMGKUBV-UHFFFAOYSA-O
MW246.12 g/mol
LogP2.23
Rot. Bonds2

About (5,7-dichloro-6-methoxy-1H-indol-2-yl)methylazanium

(5,7-dichloro-6-methoxy-1H-indol-2-yl)methylazanium (PubChem CID 171731847) has the molecular formula C10H11Cl2N2O+ and a molecular weight of 246.12 g/mol. Its IUPAC name is (5,7-dichloro-6-methoxy-1H-indol-2-yl)methylazanium.

Molecular Properties

Compound Name(5,7-dichloro-6-methoxy-1H-indol-2-yl)methylazanium
PubChem CID171731847
Molecular FormulaC10H11Cl2N2O+
Molecular Weight246.12 g/mol
Exact Mass245.02
IUPAC Name(5,7-dichloro-6-methoxy-1H-indol-2-yl)methylazanium
SMILESCOc1c(Cl)cc2cc(C[NH3+])[nH]c2c1Cl
InChIInChI=1S/C10H10Cl2N2O/c1-15-10-7(11)3-5-2-6(4-13)14-9(5)8(10)12/h2-3,14H,4,13H2,1H3/p+1
InChIKeyVBGSVEWOMGKUBV-UHFFFAOYSA-O
XLogP2.23
TPSA52.66 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.12
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5,7-dichloro-6-methoxy-1H-indol-2-yl)methylazanium?
The IUPAC name of (5,7-dichloro-6-methoxy-1H-indol-2-yl)methylazanium (CID 171731847) is (5,7-dichloro-6-methoxy-1H-indol-2-yl)methylazanium.
What is the SMILES notation for (5,7-dichloro-6-methoxy-1H-indol-2-yl)methylazanium?
The canonical SMILES for (5,7-dichloro-6-methoxy-1H-indol-2-yl)methylazanium is COc1c(Cl)cc2cc(C[NH3+])[nH]c2c1Cl.
What is the InChIKey of (5,7-dichloro-6-methoxy-1H-indol-2-yl)methylazanium?
The InChIKey is VBGSVEWOMGKUBV-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H10Cl2N2O/c1-15-10-7(11)3-5-2-6(4-13)14-9(5)8(10)12/h2-3,14H,4,13H2,1H3/p+1.
What are the key properties of (5,7-dichloro-6-methoxy-1H-indol-2-yl)methylazanium?
(5,7-dichloro-6-methoxy-1H-indol-2-yl)methylazanium has a molecular weight of 246.12 g/mol, XLogP of 2.23, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5,7-dichloro-6-methoxy-1H-indol-2-yl)methylazanium is sourced from PubChem (CID 171731847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).