4-chloro-6-(furan-2-yl)-9H-pyrido[2,3-b]indole

C15H9ClN2O — CID 66766300

IUPAC4-chloro-6-(furan-2-yl)-9H-pyrido[2,3-b]indole
SMILESClc1ccnc2[nH]c3ccc(-c4ccco4)cc3c12
InChIInChI=1S/C15H9ClN2O/c16-11-5-6-17-15-14(11)10-8-9(3-4-12(10)18-15)13-2-1-7-19-13/h1-8H,(H,17,18)
InChIKeyGOFDWODMUYLKSZ-UHFFFAOYSA-N
MW268.70 g/mol
LogP4.63
Rot. Bonds1

About 4-chloro-6-(furan-2-yl)-9H-pyrido[2,3-b]indole

4-chloro-6-(furan-2-yl)-9H-pyrido[2,3-b]indole (PubChem CID 66766300) has the molecular formula C15H9ClN2O and a molecular weight of 268.70 g/mol. Its IUPAC name is 4-chloro-6-(furan-2-yl)-9H-pyrido[2,3-b]indole.

Molecular Properties

Compound Name4-chloro-6-(furan-2-yl)-9H-pyrido[2,3-b]indole
PubChem CID66766300
Molecular FormulaC15H9ClN2O
Molecular Weight268.70 g/mol
Exact Mass268.04
IUPAC Name4-chloro-6-(furan-2-yl)-9H-pyrido[2,3-b]indole
SMILESClc1ccnc2[nH]c3ccc(-c4ccco4)cc3c12
InChIInChI=1S/C15H9ClN2O/c16-11-5-6-17-15-14(11)10-8-9(3-4-12(10)18-15)13-2-1-7-19-13/h1-8H,(H,17,18)
InChIKeyGOFDWODMUYLKSZ-UHFFFAOYSA-N
XLogP4.63
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.70
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(furan-2-yl)-9H-pyrido[2,3-b]indole?
The IUPAC name of 4-chloro-6-(furan-2-yl)-9H-pyrido[2,3-b]indole (CID 66766300) is 4-chloro-6-(furan-2-yl)-9H-pyrido[2,3-b]indole.
What is the SMILES notation for 4-chloro-6-(furan-2-yl)-9H-pyrido[2,3-b]indole?
The canonical SMILES for 4-chloro-6-(furan-2-yl)-9H-pyrido[2,3-b]indole is Clc1ccnc2[nH]c3ccc(-c4ccco4)cc3c12.
What is the InChIKey of 4-chloro-6-(furan-2-yl)-9H-pyrido[2,3-b]indole?
The InChIKey is GOFDWODMUYLKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClN2O/c16-11-5-6-17-15-14(11)10-8-9(3-4-12(10)18-15)13-2-1-7-19-13/h1-8H,(H,17,18).
What are the key properties of 4-chloro-6-(furan-2-yl)-9H-pyrido[2,3-b]indole?
4-chloro-6-(furan-2-yl)-9H-pyrido[2,3-b]indole has a molecular weight of 268.70 g/mol, XLogP of 4.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(furan-2-yl)-9H-pyrido[2,3-b]indole is sourced from PubChem (CID 66766300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).