(3-chloro-1-methylindol-4-yl)azanium

C9H10ClN2+ — CID 154616293

IUPAC(3-chloro-1-methylindol-4-yl)azanium
SMILESCn1cc(Cl)c2c([NH3+])cccc21
InChIInChI=1S/C9H9ClN2/c1-12-5-6(10)9-7(11)3-2-4-8(9)12/h2-5H,11H2,1H3/p+1
InChIKeyYFDUACDWMSMEFG-UHFFFAOYSA-O
MW181.65 g/mol
LogP1.71
Rot. Bonds

About (3-chloro-1-methylindol-4-yl)azanium

(3-chloro-1-methylindol-4-yl)azanium (PubChem CID 154616293) has the molecular formula C9H10ClN2+ and a molecular weight of 181.65 g/mol. Its IUPAC name is (3-chloro-1-methylindol-4-yl)azanium.

Molecular Properties

Compound Name(3-chloro-1-methylindol-4-yl)azanium
PubChem CID154616293
Molecular FormulaC9H10ClN2+
Molecular Weight181.65 g/mol
Exact Mass181.05
IUPAC Name(3-chloro-1-methylindol-4-yl)azanium
SMILESCn1cc(Cl)c2c([NH3+])cccc21
InChIInChI=1S/C9H9ClN2/c1-12-5-6(10)9-7(11)3-2-4-8(9)12/h2-5H,11H2,1H3/p+1
InChIKeyYFDUACDWMSMEFG-UHFFFAOYSA-O
XLogP1.71
TPSA32.57 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.65
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3-chloro-1-propylindol-4-yl)azanium chloride
CID 138543966
(1-butyl-3-chloroindol-4-yl)azanium
CID 154616295
1-(3-chloro-1-methylindol-4-yl)ethanol
CID 84677358
O-[2-(3-chloro-1-methylindol-4-yl)ethyl]hydroxylamine
CID 117322623
4-(3-chloro-1-methylindol-4-yl)butan-1-amine
CID 117345887
(4-chloro-1-methylindol-3-yl)methanol
CID 117119629
ethyl 2-(3-chloro-1-methylindol-4-yl)-2-oxoacetate
CID 117418386
4-chloro-3-(iodomethyl)-1-methylindole;N,N-dimethylmethanamine
CID 69427691
3-chloro-1-methyl-4-(piperidin-2-ylmethyl)indole
CID 117411537
5-chloro-1-methylquinolin-4-one
CID 122129798
1,4-dimethylindol-3-amine
CID 89174209
5-(4-chloro-1-methylindol-3-yl)-1-methylpyrazol-4-amine
CID 115109191

Frequently Asked Questions

What is the IUPAC name of (3-chloro-1-methylindol-4-yl)azanium?
The IUPAC name of (3-chloro-1-methylindol-4-yl)azanium (CID 154616293) is (3-chloro-1-methylindol-4-yl)azanium.
What is the SMILES notation for (3-chloro-1-methylindol-4-yl)azanium?
The canonical SMILES for (3-chloro-1-methylindol-4-yl)azanium is Cn1cc(Cl)c2c([NH3+])cccc21.
What is the InChIKey of (3-chloro-1-methylindol-4-yl)azanium?
The InChIKey is YFDUACDWMSMEFG-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H9ClN2/c1-12-5-6(10)9-7(11)3-2-4-8(9)12/h2-5H,11H2,1H3/p+1.
What are the key properties of (3-chloro-1-methylindol-4-yl)azanium?
(3-chloro-1-methylindol-4-yl)azanium has a molecular weight of 181.65 g/mol, XLogP of 1.71, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-1-methylindol-4-yl)azanium is sourced from PubChem (CID 154616293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).