4-(3-chloro-4-pyridinyl)-9H-pyrido[2,3-b]indole

C16H10ClN3 — CID 118934591

IUPAC4-(3-chloro-4-pyridinyl)-9H-pyrido[2,3-b]indole
SMILESClc1cnccc1-c1ccnc2[nH]c3ccccc3c12
InChIInChI=1S/C16H10ClN3/c17-13-9-18-7-5-10(13)11-6-8-19-16-15(11)12-3-1-2-4-14(12)20-16/h1-9H,(H,19,20)
InChIKeyPAOKKYJDFIQJNM-UHFFFAOYSA-N
MW279.73 g/mol
LogP4.43
Rot. Bonds1

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

4-(3-chloro-4-pyridinyl)-9H-pyrido[2,3-b]indole (PubChem CID 118934591) has the molecular formula C16H10ClN3 and a molecular weight of 279.73 g/mol. Its IUPAC name is 4-(3-chloro-4-pyridinyl)-9H-pyrido[2,3-b]indole.

Molecular Properties

Compound Name4-(3-chloro-4-pyridinyl)-9H-pyrido[2,3-b]indole
PubChem CID118934591
Molecular FormulaC16H10ClN3
Molecular Weight279.73 g/mol
Exact Mass279.06
IUPAC Name4-(3-chloro-4-pyridinyl)-9H-pyrido[2,3-b]indole
SMILESClc1cnccc1-c1ccnc2[nH]c3ccccc3c12
InChIInChI=1S/C16H10ClN3/c17-13-9-18-7-5-10(13)11-6-8-19-16-15(11)12-3-1-2-4-14(12)20-16/h1-9H,(H,19,20)
InChIKeyPAOKKYJDFIQJNM-UHFFFAOYSA-N
XLogP4.43
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-pyridinyl)-9H-pyrido[2,3-b]indole?
The IUPAC name of 4-(3-chloro-4-pyridinyl)-9H-pyrido[2,3-b]indole (CID 118934591) is 4-(3-chloro-4-pyridinyl)-9H-pyrido[2,3-b]indole.
What is the SMILES notation for 4-(3-chloro-4-pyridinyl)-9H-pyrido[2,3-b]indole?
The canonical SMILES for 4-(3-chloro-4-pyridinyl)-9H-pyrido[2,3-b]indole is Clc1cnccc1-c1ccnc2[nH]c3ccccc3c12.
What is the InChIKey of 4-(3-chloro-4-pyridinyl)-9H-pyrido[2,3-b]indole?
The InChIKey is PAOKKYJDFIQJNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClN3/c17-13-9-18-7-5-10(13)11-6-8-19-16-15(11)12-3-1-2-4-14(12)20-16/h1-9H,(H,19,20).
What are the key properties of 4-(3-chloro-4-pyridinyl)-9H-pyrido[2,3-b]indole?
4-(3-chloro-4-pyridinyl)-9H-pyrido[2,3-b]indole has a molecular weight of 279.73 g/mol, XLogP of 4.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-pyridinyl)-9H-pyrido[2,3-b]indole is sourced from PubChem (CID 118934591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).