3-[1-(2-chloro-4-pyridinyl)-3,6-dihydro-2H-pyridin-4-yl]-6-fluoro-1H-indole

C18H15ClFN3 — CID 133359737

IUPAC3-[1-(2-chloro-4-pyridinyl)-3,6-dihydro-2H-pyridin-4-yl]-6-fluoro-1H-indole
SMILESFc1ccc2c(C3=CCN(c4ccnc(Cl)c4)CC3)c[nH]c2c1
InChIInChI=1S/C18H15ClFN3/c19-18-10-14(3-6-21-18)23-7-4-12(5-8-23)16-11-22-17-9-13(20)1-2-15(16)17/h1-4,6,9-11,22H,5,7-8H2
InChIKeyIVIZGFSDIDSGIM-UHFFFAOYSA-N
MW327.79 g/mol
LogP4.65
Rot. Bonds2

About 3-[1-(2-chloro-4-pyridinyl)-3,6-dihydro-2H-pyridin-4-yl]-6-fluoro-1H-indole

3-[1-(2-chloro-4-pyridinyl)-3,6-dihydro-2H-pyridin-4-yl]-6-fluoro-1H-indole (PubChem CID 133359737) has the molecular formula C18H15ClFN3 and a molecular weight of 327.79 g/mol. Its IUPAC name is 3-[1-(2-chloro-4-pyridinyl)-3,6-dihydro-2H-pyridin-4-yl]-6-fluoro-1H-indole.

Molecular Properties

Compound Name3-[1-(2-chloro-4-pyridinyl)-3,6-dihydro-2H-pyridin-4-yl]-6-fluoro-1H-indole
PubChem CID133359737
Molecular FormulaC18H15ClFN3
Molecular Weight327.79 g/mol
Exact Mass327.09
IUPAC Name3-[1-(2-chloro-4-pyridinyl)-3,6-dihydro-2H-pyridin-4-yl]-6-fluoro-1H-indole
SMILESFc1ccc2c(C3=CCN(c4ccnc(Cl)c4)CC3)c[nH]c2c1
InChIInChI=1S/C18H15ClFN3/c19-18-10-14(3-6-21-18)23-7-4-12(5-8-23)16-11-22-17-9-13(20)1-2-15(16)17/h1-4,6,9-11,22H,5,7-8H2
InChIKeyIVIZGFSDIDSGIM-UHFFFAOYSA-N
XLogP4.65
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.79
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-chloro-4-pyridinyl)-3,6-dihydro-2H-pyridin-4-yl]-6-fluoro-1H-indole?
The IUPAC name of 3-[1-(2-chloro-4-pyridinyl)-3,6-dihydro-2H-pyridin-4-yl]-6-fluoro-1H-indole (CID 133359737) is 3-[1-(2-chloro-4-pyridinyl)-3,6-dihydro-2H-pyridin-4-yl]-6-fluoro-1H-indole.
What is the SMILES notation for 3-[1-(2-chloro-4-pyridinyl)-3,6-dihydro-2H-pyridin-4-yl]-6-fluoro-1H-indole?
The canonical SMILES for 3-[1-(2-chloro-4-pyridinyl)-3,6-dihydro-2H-pyridin-4-yl]-6-fluoro-1H-indole is Fc1ccc2c(C3=CCN(c4ccnc(Cl)c4)CC3)c[nH]c2c1.
What is the InChIKey of 3-[1-(2-chloro-4-pyridinyl)-3,6-dihydro-2H-pyridin-4-yl]-6-fluoro-1H-indole?
The InChIKey is IVIZGFSDIDSGIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN3/c19-18-10-14(3-6-21-18)23-7-4-12(5-8-23)16-11-22-17-9-13(20)1-2-15(16)17/h1-4,6,9-11,22H,5,7-8H2.
What are the key properties of 3-[1-(2-chloro-4-pyridinyl)-3,6-dihydro-2H-pyridin-4-yl]-6-fluoro-1H-indole?
3-[1-(2-chloro-4-pyridinyl)-3,6-dihydro-2H-pyridin-4-yl]-6-fluoro-1H-indole has a molecular weight of 327.79 g/mol, XLogP of 4.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-chloro-4-pyridinyl)-3,6-dihydro-2H-pyridin-4-yl]-6-fluoro-1H-indole is sourced from PubChem (CID 133359737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).