5-chloro-8-propan-2-yl-9H-pyrido[2,3-b]indole

C14H13ClN2 — CID 172571034

IUPAC5-chloro-8-propan-2-yl-9H-pyrido[2,3-b]indole
SMILESCC(C)c1ccc(Cl)c2c1[nH]c1ncccc12
InChIInChI=1S/C14H13ClN2/c1-8(2)9-5-6-11(15)12-10-4-3-7-16-14(10)17-13(9)12/h3-8H,1-2H3,(H,16,17)
InChIKeyFDWICLHVKDKQOR-UHFFFAOYSA-N
MW244.72 g/mol
LogP4.49
Rot. Bonds1

About 5-chloro-8-propan-2-yl-9H-pyrido[2,3-b]indole

5-chloro-8-propan-2-yl-9H-pyrido[2,3-b]indole (PubChem CID 172571034) has the molecular formula C14H13ClN2 and a molecular weight of 244.72 g/mol. Its IUPAC name is 5-chloro-8-propan-2-yl-9H-pyrido[2,3-b]indole.

Molecular Properties

Compound Name5-chloro-8-propan-2-yl-9H-pyrido[2,3-b]indole
PubChem CID172571034
Molecular FormulaC14H13ClN2
Molecular Weight244.72 g/mol
Exact Mass244.08
IUPAC Name5-chloro-8-propan-2-yl-9H-pyrido[2,3-b]indole
SMILESCC(C)c1ccc(Cl)c2c1[nH]c1ncccc12
InChIInChI=1S/C14H13ClN2/c1-8(2)9-5-6-11(15)12-10-4-3-7-16-14(10)17-13(9)12/h3-8H,1-2H3,(H,16,17)
InChIKeyFDWICLHVKDKQOR-UHFFFAOYSA-N
XLogP4.49
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.72
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-8-propan-2-yl-9H-pyrido[2,3-b]indole?
The IUPAC name of 5-chloro-8-propan-2-yl-9H-pyrido[2,3-b]indole (CID 172571034) is 5-chloro-8-propan-2-yl-9H-pyrido[2,3-b]indole.
What is the SMILES notation for 5-chloro-8-propan-2-yl-9H-pyrido[2,3-b]indole?
The canonical SMILES for 5-chloro-8-propan-2-yl-9H-pyrido[2,3-b]indole is CC(C)c1ccc(Cl)c2c1[nH]c1ncccc12.
What is the InChIKey of 5-chloro-8-propan-2-yl-9H-pyrido[2,3-b]indole?
The InChIKey is FDWICLHVKDKQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2/c1-8(2)9-5-6-11(15)12-10-4-3-7-16-14(10)17-13(9)12/h3-8H,1-2H3,(H,16,17).
What are the key properties of 5-chloro-8-propan-2-yl-9H-pyrido[2,3-b]indole?
5-chloro-8-propan-2-yl-9H-pyrido[2,3-b]indole has a molecular weight of 244.72 g/mol, XLogP of 4.49, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-8-propan-2-yl-9H-pyrido[2,3-b]indole is sourced from PubChem (CID 172571034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).