7-chloro-5-fluoro-3-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)-1H-indole

C16H18ClFN2 — CID 168941786

IUPAC7-chloro-5-fluoro-3-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)-1H-indole
SMILESCCCN1CCC=C(c2c[nH]c3c(Cl)cc(F)cc23)C1
InChIInChI=1S/C16H18ClFN2/c1-2-5-20-6-3-4-11(10-20)14-9-19-16-13(14)7-12(18)8-15(16)17/h4,7-9,19H,2-3,5-6,10H2,1H3
InChIKeyQPWZAMFQRKWLEM-UHFFFAOYSA-N
MW292.79 g/mol
LogP4.46
Rot. Bonds3

About 7-chloro-5-fluoro-3-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)-1H-indole

7-chloro-5-fluoro-3-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)-1H-indole (PubChem CID 168941786) has the molecular formula C16H18ClFN2 and a molecular weight of 292.79 g/mol. Its IUPAC name is 7-chloro-5-fluoro-3-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)-1H-indole.

Molecular Properties

Compound Name7-chloro-5-fluoro-3-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)-1H-indole
PubChem CID168941786
Molecular FormulaC16H18ClFN2
Molecular Weight292.79 g/mol
Exact Mass292.11
IUPAC Name7-chloro-5-fluoro-3-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)-1H-indole
SMILESCCCN1CCC=C(c2c[nH]c3c(Cl)cc(F)cc23)C1
InChIInChI=1S/C16H18ClFN2/c1-2-5-20-6-3-4-11(10-20)14-9-19-16-13(14)7-12(18)8-15(16)17/h4,7-9,19H,2-3,5-6,10H2,1H3
InChIKeyQPWZAMFQRKWLEM-UHFFFAOYSA-N
XLogP4.46
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.79
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-fluoro-3-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)-1H-indole?
The IUPAC name of 7-chloro-5-fluoro-3-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)-1H-indole (CID 168941786) is 7-chloro-5-fluoro-3-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)-1H-indole.
What is the SMILES notation for 7-chloro-5-fluoro-3-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)-1H-indole?
The canonical SMILES for 7-chloro-5-fluoro-3-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)-1H-indole is CCCN1CCC=C(c2c[nH]c3c(Cl)cc(F)cc23)C1.
What is the InChIKey of 7-chloro-5-fluoro-3-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)-1H-indole?
The InChIKey is QPWZAMFQRKWLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClFN2/c1-2-5-20-6-3-4-11(10-20)14-9-19-16-13(14)7-12(18)8-15(16)17/h4,7-9,19H,2-3,5-6,10H2,1H3.
What are the key properties of 7-chloro-5-fluoro-3-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)-1H-indole?
7-chloro-5-fluoro-3-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)-1H-indole has a molecular weight of 292.79 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-fluoro-3-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)-1H-indole is sourced from PubChem (CID 168941786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).