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

C19H9ClF3N3O — CID 123228174

IUPAC7-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]pyrido[1,2-a]indole-10-carbonitrile
SMILESN#Cc1c2ccccc2n2cc(Oc3ncc(C(F)(F)F)cc3Cl)ccc12
InChIInChI=1S/C19H9ClF3N3O/c20-15-7-11(19(21,22)23)9-25-18(15)27-12-5-6-17-14(8-24)13-3-1-2-4-16(13)26(17)10-12/h1-7,9-10H
InChIKeyIOXNGUGUDMRFOC-UHFFFAOYSA-N
MW387.75 g/mol
LogP5.82
Rot. Bonds2

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

7-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]pyrido[1,2-a]indole-10-carbonitrile (PubChem CID 123228174) has the molecular formula C19H9ClF3N3O and a molecular weight of 387.75 g/mol. Its IUPAC name is 7-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]pyrido[1,2-a]indole-10-carbonitrile.

Molecular Properties

Compound Name7-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]pyrido[1,2-a]indole-10-carbonitrile
PubChem CID123228174
Molecular FormulaC19H9ClF3N3O
Molecular Weight387.75 g/mol
Exact Mass387.04
IUPAC Name7-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]pyrido[1,2-a]indole-10-carbonitrile
SMILESN#Cc1c2ccccc2n2cc(Oc3ncc(C(F)(F)F)cc3Cl)ccc12
InChIInChI=1S/C19H9ClF3N3O/c20-15-7-11(19(21,22)23)9-25-18(15)27-12-5-6-17-14(8-24)13-3-1-2-4-16(13)26(17)10-12/h1-7,9-10H
InChIKeyIOXNGUGUDMRFOC-UHFFFAOYSA-N
XLogP5.82
TPSA50.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.75
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]pyrido[1,2-a]indole-10-carbonitrile?
The IUPAC name of 7-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]pyrido[1,2-a]indole-10-carbonitrile (CID 123228174) is 7-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]pyrido[1,2-a]indole-10-carbonitrile.
What is the SMILES notation for 7-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]pyrido[1,2-a]indole-10-carbonitrile?
The canonical SMILES for 7-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]pyrido[1,2-a]indole-10-carbonitrile is N#Cc1c2ccccc2n2cc(Oc3ncc(C(F)(F)F)cc3Cl)ccc12.
What is the InChIKey of 7-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]pyrido[1,2-a]indole-10-carbonitrile?
The InChIKey is IOXNGUGUDMRFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H9ClF3N3O/c20-15-7-11(19(21,22)23)9-25-18(15)27-12-5-6-17-14(8-24)13-3-1-2-4-16(13)26(17)10-12/h1-7,9-10H.
What are the key properties of 7-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]pyrido[1,2-a]indole-10-carbonitrile?
7-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]pyrido[1,2-a]indole-10-carbonitrile has a molecular weight of 387.75 g/mol, XLogP of 5.82, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]pyrido[1,2-a]indole-10-carbonitrile is sourced from PubChem (CID 123228174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).