5-chloro-7-fluoro-2-pyridin-2-yl-2,3-dihydro-1H-indole

C13H10ClFN2 — CID 3427324

IUPAC5-chloro-7-fluoro-2-pyridin-2-yl-2,3-dihydro-1H-indole
SMILESFc1cc(Cl)cc2c1NC(c1ccccn1)C2
InChIInChI=1S/C13H10ClFN2/c14-9-5-8-6-12(11-3-1-2-4-16-11)17-13(8)10(15)7-9/h1-5,7,12,17H,6H2
InChIKeyIQKUORBAQSGDPK-UHFFFAOYSA-N
MW248.69 g/mol
LogP3.58
Rot. Bonds1

About 5-chloro-7-fluoro-2-pyridin-2-yl-2,3-dihydro-1H-indole

5-chloro-7-fluoro-2-pyridin-2-yl-2,3-dihydro-1H-indole (PubChem CID 3427324) has the molecular formula C13H10ClFN2 and a molecular weight of 248.69 g/mol. Its IUPAC name is 5-chloro-7-fluoro-2-pyridin-2-yl-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name5-chloro-7-fluoro-2-pyridin-2-yl-2,3-dihydro-1H-indole
PubChem CID3427324
Molecular FormulaC13H10ClFN2
Molecular Weight248.69 g/mol
Exact Mass248.05
IUPAC Name5-chloro-7-fluoro-2-pyridin-2-yl-2,3-dihydro-1H-indole
SMILESFc1cc(Cl)cc2c1NC(c1ccccn1)C2
InChIInChI=1S/C13H10ClFN2/c14-9-5-8-6-12(11-3-1-2-4-16-11)17-13(8)10(15)7-9/h1-5,7,12,17H,6H2
InChIKeyIQKUORBAQSGDPK-UHFFFAOYSA-N
XLogP3.58
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.69
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-fluoro-2-pyridin-2-yl-2,3-dihydro-1H-indole?
The IUPAC name of 5-chloro-7-fluoro-2-pyridin-2-yl-2,3-dihydro-1H-indole (CID 3427324) is 5-chloro-7-fluoro-2-pyridin-2-yl-2,3-dihydro-1H-indole.
What is the SMILES notation for 5-chloro-7-fluoro-2-pyridin-2-yl-2,3-dihydro-1H-indole?
The canonical SMILES for 5-chloro-7-fluoro-2-pyridin-2-yl-2,3-dihydro-1H-indole is Fc1cc(Cl)cc2c1NC(c1ccccn1)C2.
What is the InChIKey of 5-chloro-7-fluoro-2-pyridin-2-yl-2,3-dihydro-1H-indole?
The InChIKey is IQKUORBAQSGDPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFN2/c14-9-5-8-6-12(11-3-1-2-4-16-11)17-13(8)10(15)7-9/h1-5,7,12,17H,6H2.
What are the key properties of 5-chloro-7-fluoro-2-pyridin-2-yl-2,3-dihydro-1H-indole?
5-chloro-7-fluoro-2-pyridin-2-yl-2,3-dihydro-1H-indole has a molecular weight of 248.69 g/mol, XLogP of 3.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-fluoro-2-pyridin-2-yl-2,3-dihydro-1H-indole is sourced from PubChem (CID 3427324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).