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

C14H14ClFN2 — CID 168941761

IUPAC7-chloro-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1H-indole
SMILESCN1CCC=C(c2c[nH]c3c(Cl)cc(F)cc23)C1
InChIInChI=1S/C14H14ClFN2/c1-18-4-2-3-9(8-18)12-7-17-14-11(12)5-10(16)6-13(14)15/h3,5-7,17H,2,4,8H2,1H3
InChIKeyDQDNCNSVWNBDNW-UHFFFAOYSA-N
MW264.73 g/mol
LogP3.68
Rot. Bonds1

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

7-chloro-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1H-indole (PubChem CID 168941761) has the molecular formula C14H14ClFN2 and a molecular weight of 264.73 g/mol. Its IUPAC name is 7-chloro-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1H-indole.

Molecular Properties

Compound Name7-chloro-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1H-indole
PubChem CID168941761
Molecular FormulaC14H14ClFN2
Molecular Weight264.73 g/mol
Exact Mass264.08
IUPAC Name7-chloro-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1H-indole
SMILESCN1CCC=C(c2c[nH]c3c(Cl)cc(F)cc23)C1
InChIInChI=1S/C14H14ClFN2/c1-18-4-2-3-9(8-18)12-7-17-14-11(12)5-10(16)6-13(14)15/h3,5-7,17H,2,4,8H2,1H3
InChIKeyDQDNCNSVWNBDNW-UHFFFAOYSA-N
XLogP3.68
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.73
LogP ≤ 53.68
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-methyl-3,6-dihydro-2H-pyridin-5-yl)-1H-indole?
The IUPAC name of 7-chloro-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1H-indole (CID 168941761) is 7-chloro-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1H-indole.
What is the SMILES notation for 7-chloro-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1H-indole?
The canonical SMILES for 7-chloro-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1H-indole is CN1CCC=C(c2c[nH]c3c(Cl)cc(F)cc23)C1.
What is the InChIKey of 7-chloro-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1H-indole?
The InChIKey is DQDNCNSVWNBDNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2/c1-18-4-2-3-9(8-18)12-7-17-14-11(12)5-10(16)6-13(14)15/h3,5-7,17H,2,4,8H2,1H3.
What are the key properties of 7-chloro-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1H-indole?
7-chloro-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1H-indole has a molecular weight of 264.73 g/mol, XLogP of 3.68, 1 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-methyl-3,6-dihydro-2H-pyridin-5-yl)-1H-indole is sourced from PubChem (CID 168941761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).