9-methylpyrido[2,3-b]indole

C12H10N2 — CID 12596580

IUPAC9-methylpyrido[2,3-b]indole
SMILESCn1c2ccccc2c2cccnc21
InChIInChI=1S/C12H10N2/c1-14-11-7-3-2-5-9(11)10-6-4-8-13-12(10)14/h2-8H,1H3
InChIKeyNVSXQUCPVQBLSB-UHFFFAOYSA-N
MW182.23 g/mol
LogP2.73
Rot. Bonds

About 9-methylpyrido[2,3-b]indole

9-methylpyrido[2,3-b]indole (PubChem CID 12596580) has the molecular formula C12H10N2 and a molecular weight of 182.23 g/mol. Its IUPAC name is 9-methylpyrido[2,3-b]indole.

Molecular Properties

Compound Name9-methylpyrido[2,3-b]indole
PubChem CID12596580
Molecular FormulaC12H10N2
Molecular Weight182.23 g/mol
Exact Mass182.08
IUPAC Name9-methylpyrido[2,3-b]indole
SMILESCn1c2ccccc2c2cccnc21
InChIInChI=1S/C12H10N2/c1-14-11-7-3-2-5-9(11)10-6-4-8-13-12(10)14/h2-8H,1H3
InChIKeyNVSXQUCPVQBLSB-UHFFFAOYSA-N
XLogP2.73
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-methylpyrido[2,3-b]indole?
The IUPAC name of 9-methylpyrido[2,3-b]indole (CID 12596580) is 9-methylpyrido[2,3-b]indole.
What is the SMILES notation for 9-methylpyrido[2,3-b]indole?
The canonical SMILES for 9-methylpyrido[2,3-b]indole is Cn1c2ccccc2c2cccnc21.
What is the InChIKey of 9-methylpyrido[2,3-b]indole?
The InChIKey is NVSXQUCPVQBLSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2/c1-14-11-7-3-2-5-9(11)10-6-4-8-13-12(10)14/h2-8H,1H3.
What are the key properties of 9-methylpyrido[2,3-b]indole?
9-methylpyrido[2,3-b]indole has a molecular weight of 182.23 g/mol, XLogP of 2.73, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methylpyrido[2,3-b]indole is sourced from PubChem (CID 12596580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).