3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(1H-indol-3-yl)pyridin-2-amine

C21H17ClFN3O — CID 146185164

IUPAC3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(1H-indol-3-yl)pyridin-2-amine
SMILESCC(Oc1cc(-c2c[nH]c3ccccc23)cnc1N)c1cc(F)ccc1Cl
InChIInChI=1S/C21H17ClFN3O/c1-12(16-9-14(23)6-7-18(16)22)27-20-8-13(10-26-21(20)24)17-11-25-19-5-3-2-4-15(17)19/h2-12,25H,1H3,(H2,24,26)
InChIKeyVBAASHAALWBZGI-UHFFFAOYSA-N
MW381.84 g/mol
LogP5.74
Rot. Bonds4

About 3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(1H-indol-3-yl)pyridin-2-amine

3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(1H-indol-3-yl)pyridin-2-amine (PubChem CID 146185164) has the molecular formula C21H17ClFN3O and a molecular weight of 381.84 g/mol. Its IUPAC name is 3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(1H-indol-3-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(1H-indol-3-yl)pyridin-2-amine
PubChem CID146185164
Molecular FormulaC21H17ClFN3O
Molecular Weight381.84 g/mol
Exact Mass381.10
IUPAC Name3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(1H-indol-3-yl)pyridin-2-amine
SMILESCC(Oc1cc(-c2c[nH]c3ccccc23)cnc1N)c1cc(F)ccc1Cl
InChIInChI=1S/C21H17ClFN3O/c1-12(16-9-14(23)6-7-18(16)22)27-20-8-13(10-26-21(20)24)17-11-25-19-5-3-2-4-15(17)19/h2-12,25H,1H3,(H2,24,26)
InChIKeyVBAASHAALWBZGI-UHFFFAOYSA-N
XLogP5.74
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.84
LogP ≤ 55.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(1H-indol-3-yl)pyridin-2-amine?
The IUPAC name of 3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(1H-indol-3-yl)pyridin-2-amine (CID 146185164) is 3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(1H-indol-3-yl)pyridin-2-amine.
What is the SMILES notation for 3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(1H-indol-3-yl)pyridin-2-amine?
The canonical SMILES for 3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(1H-indol-3-yl)pyridin-2-amine is CC(Oc1cc(-c2c[nH]c3ccccc23)cnc1N)c1cc(F)ccc1Cl.
What is the InChIKey of 3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(1H-indol-3-yl)pyridin-2-amine?
The InChIKey is VBAASHAALWBZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClFN3O/c1-12(16-9-14(23)6-7-18(16)22)27-20-8-13(10-26-21(20)24)17-11-25-19-5-3-2-4-15(17)19/h2-12,25H,1H3,(H2,24,26).
What are the key properties of 3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(1H-indol-3-yl)pyridin-2-amine?
3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(1H-indol-3-yl)pyridin-2-amine has a molecular weight of 381.84 g/mol, XLogP of 5.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(1H-indol-3-yl)pyridin-2-amine is sourced from PubChem (CID 146185164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).