2-chloro-9-(ethoxymethyl)pyrido[2,3-b]indole

C14H13ClN2O — CID 50924339

IUPAC2-chloro-9-(ethoxymethyl)pyrido[2,3-b]indole
SMILESCCOCn1c2ccccc2c2ccc(Cl)nc21
InChIInChI=1S/C14H13ClN2O/c1-2-18-9-17-12-6-4-3-5-10(12)11-7-8-13(15)16-14(11)17/h3-8H,2,9H2,1H3
InChIKeyFNJWOGDTLPANSF-UHFFFAOYSA-N
MW260.72 g/mol
LogP3.84
Rot. Bonds3

About 2-chloro-9-(ethoxymethyl)pyrido[2,3-b]indole

2-chloro-9-(ethoxymethyl)pyrido[2,3-b]indole (PubChem CID 50924339) has the molecular formula C14H13ClN2O and a molecular weight of 260.72 g/mol. Its IUPAC name is 2-chloro-9-(ethoxymethyl)pyrido[2,3-b]indole.

Molecular Properties

Compound Name2-chloro-9-(ethoxymethyl)pyrido[2,3-b]indole
PubChem CID50924339
Molecular FormulaC14H13ClN2O
Molecular Weight260.72 g/mol
Exact Mass260.07
IUPAC Name2-chloro-9-(ethoxymethyl)pyrido[2,3-b]indole
SMILESCCOCn1c2ccccc2c2ccc(Cl)nc21
InChIInChI=1S/C14H13ClN2O/c1-2-18-9-17-12-6-4-3-5-10(12)11-7-8-13(15)16-14(11)17/h3-8H,2,9H2,1H3
InChIKeyFNJWOGDTLPANSF-UHFFFAOYSA-N
XLogP3.84
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.72
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-9-(ethoxymethyl)pyrido[2,3-b]indole?
The IUPAC name of 2-chloro-9-(ethoxymethyl)pyrido[2,3-b]indole (CID 50924339) is 2-chloro-9-(ethoxymethyl)pyrido[2,3-b]indole.
What is the SMILES notation for 2-chloro-9-(ethoxymethyl)pyrido[2,3-b]indole?
The canonical SMILES for 2-chloro-9-(ethoxymethyl)pyrido[2,3-b]indole is CCOCn1c2ccccc2c2ccc(Cl)nc21.
What is the InChIKey of 2-chloro-9-(ethoxymethyl)pyrido[2,3-b]indole?
The InChIKey is FNJWOGDTLPANSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O/c1-2-18-9-17-12-6-4-3-5-10(12)11-7-8-13(15)16-14(11)17/h3-8H,2,9H2,1H3.
What are the key properties of 2-chloro-9-(ethoxymethyl)pyrido[2,3-b]indole?
2-chloro-9-(ethoxymethyl)pyrido[2,3-b]indole has a molecular weight of 260.72 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-9-(ethoxymethyl)pyrido[2,3-b]indole is sourced from PubChem (CID 50924339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).