3-chloro-6-methyl-9H-pyrido[2,3-b]indole

C12H9ClN2 — CID 90287619

IUPAC3-chloro-6-methyl-9H-pyrido[2,3-b]indole
SMILESCc1ccc2[nH]c3ncc(Cl)cc3c2c1
InChIInChI=1S/C12H9ClN2/c1-7-2-3-11-9(4-7)10-5-8(13)6-14-12(10)15-11/h2-6H,1H3,(H,14,15)
InChIKeyFEDLYHCNLBACQL-UHFFFAOYSA-N
MW216.67 g/mol
LogP3.68
Rot. Bonds

About 3-chloro-6-methyl-9H-pyrido[2,3-b]indole

3-chloro-6-methyl-9H-pyrido[2,3-b]indole (PubChem CID 90287619) has the molecular formula C12H9ClN2 and a molecular weight of 216.67 g/mol. Its IUPAC name is 3-chloro-6-methyl-9H-pyrido[2,3-b]indole.

Molecular Properties

Compound Name3-chloro-6-methyl-9H-pyrido[2,3-b]indole
PubChem CID90287619
Molecular FormulaC12H9ClN2
Molecular Weight216.67 g/mol
Exact Mass216.05
IUPAC Name3-chloro-6-methyl-9H-pyrido[2,3-b]indole
SMILESCc1ccc2[nH]c3ncc(Cl)cc3c2c1
InChIInChI=1S/C12H9ClN2/c1-7-2-3-11-9(4-7)10-5-8(13)6-14-12(10)15-11/h2-6H,1H3,(H,14,15)
InChIKeyFEDLYHCNLBACQL-UHFFFAOYSA-N
XLogP3.68
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.67
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-methyl-9H-pyrido[2,3-b]indole?
The IUPAC name of 3-chloro-6-methyl-9H-pyrido[2,3-b]indole (CID 90287619) is 3-chloro-6-methyl-9H-pyrido[2,3-b]indole.
What is the SMILES notation for 3-chloro-6-methyl-9H-pyrido[2,3-b]indole?
The canonical SMILES for 3-chloro-6-methyl-9H-pyrido[2,3-b]indole is Cc1ccc2[nH]c3ncc(Cl)cc3c2c1.
What is the InChIKey of 3-chloro-6-methyl-9H-pyrido[2,3-b]indole?
The InChIKey is FEDLYHCNLBACQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2/c1-7-2-3-11-9(4-7)10-5-8(13)6-14-12(10)15-11/h2-6H,1H3,(H,14,15).
What are the key properties of 3-chloro-6-methyl-9H-pyrido[2,3-b]indole?
3-chloro-6-methyl-9H-pyrido[2,3-b]indole has a molecular weight of 216.67 g/mol, XLogP of 3.68, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-methyl-9H-pyrido[2,3-b]indole is sourced from PubChem (CID 90287619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).