2-[4-(3,5-dichlorophenyl)-2-pyridinyl]-2,3-dihydro-1H-indole

C19H14Cl2N2 — CID 123200941

IUPAC2-[4-(3,5-dichlorophenyl)-2-pyridinyl]-2,3-dihydro-1H-indole
SMILESClc1cc(Cl)cc(-c2ccnc(C3Cc4ccccc4N3)c2)c1
InChIInChI=1S/C19H14Cl2N2/c20-15-7-14(8-16(21)11-15)12-5-6-22-18(9-12)19-10-13-3-1-2-4-17(13)23-19/h1-9,11,19,23H,10H2
InChIKeyXNIFYOMTZZMJGS-UHFFFAOYSA-N
MW341.24 g/mol
LogP5.76
Rot. Bonds2

About 2-[4-(3,5-dichlorophenyl)-2-pyridinyl]-2,3-dihydro-1H-indole

2-[4-(3,5-dichlorophenyl)-2-pyridinyl]-2,3-dihydro-1H-indole (PubChem CID 123200941) has the molecular formula C19H14Cl2N2 and a molecular weight of 341.24 g/mol. Its IUPAC name is 2-[4-(3,5-dichlorophenyl)-2-pyridinyl]-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name2-[4-(3,5-dichlorophenyl)-2-pyridinyl]-2,3-dihydro-1H-indole
PubChem CID123200941
Molecular FormulaC19H14Cl2N2
Molecular Weight341.24 g/mol
Exact Mass340.05
IUPAC Name2-[4-(3,5-dichlorophenyl)-2-pyridinyl]-2,3-dihydro-1H-indole
SMILESClc1cc(Cl)cc(-c2ccnc(C3Cc4ccccc4N3)c2)c1
InChIInChI=1S/C19H14Cl2N2/c20-15-7-14(8-16(21)11-15)12-5-6-22-18(9-12)19-10-13-3-1-2-4-17(13)23-19/h1-9,11,19,23H,10H2
InChIKeyXNIFYOMTZZMJGS-UHFFFAOYSA-N
XLogP5.76
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.24
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,5-dichlorophenyl)-2-pyridinyl]-2,3-dihydro-1H-indole?
The IUPAC name of 2-[4-(3,5-dichlorophenyl)-2-pyridinyl]-2,3-dihydro-1H-indole (CID 123200941) is 2-[4-(3,5-dichlorophenyl)-2-pyridinyl]-2,3-dihydro-1H-indole.
What is the SMILES notation for 2-[4-(3,5-dichlorophenyl)-2-pyridinyl]-2,3-dihydro-1H-indole?
The canonical SMILES for 2-[4-(3,5-dichlorophenyl)-2-pyridinyl]-2,3-dihydro-1H-indole is Clc1cc(Cl)cc(-c2ccnc(C3Cc4ccccc4N3)c2)c1.
What is the InChIKey of 2-[4-(3,5-dichlorophenyl)-2-pyridinyl]-2,3-dihydro-1H-indole?
The InChIKey is XNIFYOMTZZMJGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2N2/c20-15-7-14(8-16(21)11-15)12-5-6-22-18(9-12)19-10-13-3-1-2-4-17(13)23-19/h1-9,11,19,23H,10H2.
What are the key properties of 2-[4-(3,5-dichlorophenyl)-2-pyridinyl]-2,3-dihydro-1H-indole?
2-[4-(3,5-dichlorophenyl)-2-pyridinyl]-2,3-dihydro-1H-indole has a molecular weight of 341.24 g/mol, XLogP of 5.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,5-dichlorophenyl)-2-pyridinyl]-2,3-dihydro-1H-indole is sourced from PubChem (CID 123200941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).