ethyl 7-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]pyrido[1,2-a]indole-10-carboxylate

C21H14ClF3N2O3 — CID 66667453

IUPACethyl 7-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]pyrido[1,2-a]indole-10-carboxylate
SMILESCCOC(=O)c1c2ccccc2n2cc(Oc3ncc(C(F)(F)F)cc3Cl)ccc12
InChIInChI=1S/C21H14ClF3N2O3/c1-2-29-20(28)18-14-5-3-4-6-16(14)27-11-13(7-8-17(18)27)30-19-15(22)9-12(10-26-19)21(23,24)25/h3-11H,2H2,1H3
InChIKeyYQKCVWHFQCFOJP-UHFFFAOYSA-N
MW434.80 g/mol
LogP6.13
Rot. Bonds4

About ethyl 7-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]pyrido[1,2-a]indole-10-carboxylate

ethyl 7-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]pyrido[1,2-a]indole-10-carboxylate (PubChem CID 66667453) has the molecular formula C21H14ClF3N2O3 and a molecular weight of 434.80 g/mol. Its IUPAC name is ethyl 7-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]pyrido[1,2-a]indole-10-carboxylate.

Molecular Properties

Compound Nameethyl 7-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]pyrido[1,2-a]indole-10-carboxylate
PubChem CID66667453
Molecular FormulaC21H14ClF3N2O3
Molecular Weight434.80 g/mol
Exact Mass434.06
IUPAC Nameethyl 7-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]pyrido[1,2-a]indole-10-carboxylate
SMILESCCOC(=O)c1c2ccccc2n2cc(Oc3ncc(C(F)(F)F)cc3Cl)ccc12
InChIInChI=1S/C21H14ClF3N2O3/c1-2-29-20(28)18-14-5-3-4-6-16(14)27-11-13(7-8-17(18)27)30-19-15(22)9-12(10-26-19)21(23,24)25/h3-11H,2H2,1H3
InChIKeyYQKCVWHFQCFOJP-UHFFFAOYSA-N
XLogP6.13
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.80
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 7-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]pyrido[1,2-a]indole-10-carboxylate with MolForge

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Related Compounds

7-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]pyrido[1,2-a]indole-10-carbonitrile
CID 123228174
4-[(10-ethoxycarbonylpyrido[1,2-a]indol-7-yl)oxymethyl]benzoic acid
CID 69058213
ethyl 5-chloro-6-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxylate
CID 66825644
naphthalen-1-yl (2R)-2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate
CID 141479455
[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] carbonochloridate
CID 22047691
[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] propaneperoxoate
CID 22070374
1-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanone
CID 2735828
ethyl 7-sulfamoylpyrido[1,2-a]indole-10-carboxylate
CID 66667458
2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]acetamide
CID 173117551
ethyl 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-methyl-1,2-oxazole-4-carboxylate
CID 1486610
[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 1-ethylindole-3-carboxylate
CID 46640406
2-chloro-5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid
CID 176902739

Frequently Asked Questions

What is the IUPAC name of ethyl 7-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]pyrido[1,2-a]indole-10-carboxylate?
The IUPAC name of ethyl 7-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]pyrido[1,2-a]indole-10-carboxylate (CID 66667453) is ethyl 7-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]pyrido[1,2-a]indole-10-carboxylate.
What is the SMILES notation for ethyl 7-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]pyrido[1,2-a]indole-10-carboxylate?
The canonical SMILES for ethyl 7-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]pyrido[1,2-a]indole-10-carboxylate is CCOC(=O)c1c2ccccc2n2cc(Oc3ncc(C(F)(F)F)cc3Cl)ccc12.
What is the InChIKey of ethyl 7-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]pyrido[1,2-a]indole-10-carboxylate?
The InChIKey is YQKCVWHFQCFOJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClF3N2O3/c1-2-29-20(28)18-14-5-3-4-6-16(14)27-11-13(7-8-17(18)27)30-19-15(22)9-12(10-26-19)21(23,24)25/h3-11H,2H2,1H3.
What are the key properties of ethyl 7-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]pyrido[1,2-a]indole-10-carboxylate?
ethyl 7-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]pyrido[1,2-a]indole-10-carboxylate has a molecular weight of 434.80 g/mol, XLogP of 6.13, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]pyrido[1,2-a]indole-10-carboxylate is sourced from PubChem (CID 66667453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).