4-(3-chloro-2-pyridinyl)-1H-indole

C13H9ClN2 — CID 56704987

IUPAC4-(3-chloro-2-pyridinyl)-1H-indole
SMILESClc1cccnc1-c1cccc2[nH]ccc12
InChIInChI=1S/C13H9ClN2/c14-11-4-2-7-16-13(11)10-3-1-5-12-9(10)6-8-15-12/h1-8,15H
InChIKeyXPDWPZRTCJQVTH-UHFFFAOYSA-N
MW228.68 g/mol
LogP3.88
Rot. Bonds1

About 4-(3-chloro-2-pyridinyl)-1H-indole

4-(3-chloro-2-pyridinyl)-1H-indole (PubChem CID 56704987) has the molecular formula C13H9ClN2 and a molecular weight of 228.68 g/mol. Its IUPAC name is 4-(3-chloro-2-pyridinyl)-1H-indole.

Molecular Properties

Compound Name4-(3-chloro-2-pyridinyl)-1H-indole
PubChem CID56704987
Molecular FormulaC13H9ClN2
Molecular Weight228.68 g/mol
Exact Mass228.05
IUPAC Name4-(3-chloro-2-pyridinyl)-1H-indole
SMILESClc1cccnc1-c1cccc2[nH]ccc12
InChIInChI=1S/C13H9ClN2/c14-11-4-2-7-16-13(11)10-3-1-5-12-9(10)6-8-15-12/h1-8,15H
InChIKeyXPDWPZRTCJQVTH-UHFFFAOYSA-N
XLogP3.88
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Skatole
CID 6736
N,N-Dimethyltryptamine
CID 6089
Tryptamine
CID 1150
Gramine
CID 6890
Beta-Carboline
CID 64961
(+-)-alpha-Methyltryptamine
CID 9287
Methyltryptamine
CID 6088
3,3'-Diindolylmethane
CID 3071
Indalpine
CID 44668
Alpha-Ethyltryptamine
CID 8367
Indole-3-acetonitrile
CID 351795
Harman
CID 5281404

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-2-pyridinyl)-1H-indole?
The IUPAC name of 4-(3-chloro-2-pyridinyl)-1H-indole (CID 56704987) is 4-(3-chloro-2-pyridinyl)-1H-indole.
What is the SMILES notation for 4-(3-chloro-2-pyridinyl)-1H-indole?
The canonical SMILES for 4-(3-chloro-2-pyridinyl)-1H-indole is Clc1cccnc1-c1cccc2[nH]ccc12.
What is the InChIKey of 4-(3-chloro-2-pyridinyl)-1H-indole?
The InChIKey is XPDWPZRTCJQVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2/c14-11-4-2-7-16-13(11)10-3-1-5-12-9(10)6-8-15-12/h1-8,15H.
What are the key properties of 4-(3-chloro-2-pyridinyl)-1H-indole?
4-(3-chloro-2-pyridinyl)-1H-indole has a molecular weight of 228.68 g/mol, XLogP of 3.88, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-2-pyridinyl)-1H-indole is sourced from PubChem (CID 56704987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).