3-[4-amino-5-(difluoromethoxy)-2-pyridinyl]-1H-indole-7-carbonitrile

C15H10F2N4O — CID 167351121

IUPAC3-[4-amino-5-(difluoromethoxy)-2-pyridinyl]-1H-indole-7-carbonitrile
SMILESN#Cc1cccc2c(-c3cc(N)c(OC(F)F)cn3)c[nH]c12
InChIInChI=1S/C15H10F2N4O/c16-15(17)22-13-7-20-12(4-11(13)19)10-6-21-14-8(5-18)2-1-3-9(10)14/h1-4,6-7,15,21H,(H2,19,20)
InChIKeyOEPXMDDPQQJNPY-UHFFFAOYSA-N
MW300.27 g/mol
LogP3.29
Rot. Bonds3

About 3-[4-amino-5-(difluoromethoxy)-2-pyridinyl]-1H-indole-7-carbonitrile

3-[4-amino-5-(difluoromethoxy)-2-pyridinyl]-1H-indole-7-carbonitrile (PubChem CID 167351121) has the molecular formula C15H10F2N4O and a molecular weight of 300.27 g/mol. Its IUPAC name is 3-[4-amino-5-(difluoromethoxy)-2-pyridinyl]-1H-indole-7-carbonitrile.

Molecular Properties

Compound Name3-[4-amino-5-(difluoromethoxy)-2-pyridinyl]-1H-indole-7-carbonitrile
PubChem CID167351121
Molecular FormulaC15H10F2N4O
Molecular Weight300.27 g/mol
Exact Mass300.08
IUPAC Name3-[4-amino-5-(difluoromethoxy)-2-pyridinyl]-1H-indole-7-carbonitrile
SMILESN#Cc1cccc2c(-c3cc(N)c(OC(F)F)cn3)c[nH]c12
InChIInChI=1S/C15H10F2N4O/c16-15(17)22-13-7-20-12(4-11(13)19)10-6-21-14-8(5-18)2-1-3-9(10)14/h1-4,6-7,15,21H,(H2,19,20)
InChIKeyOEPXMDDPQQJNPY-UHFFFAOYSA-N
XLogP3.29
TPSA87.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.27
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-amino-5-(difluoromethoxy)-2-pyridinyl]-1H-indole-7-carbonitrile?
The IUPAC name of 3-[4-amino-5-(difluoromethoxy)-2-pyridinyl]-1H-indole-7-carbonitrile (CID 167351121) is 3-[4-amino-5-(difluoromethoxy)-2-pyridinyl]-1H-indole-7-carbonitrile.
What is the SMILES notation for 3-[4-amino-5-(difluoromethoxy)-2-pyridinyl]-1H-indole-7-carbonitrile?
The canonical SMILES for 3-[4-amino-5-(difluoromethoxy)-2-pyridinyl]-1H-indole-7-carbonitrile is N#Cc1cccc2c(-c3cc(N)c(OC(F)F)cn3)c[nH]c12.
What is the InChIKey of 3-[4-amino-5-(difluoromethoxy)-2-pyridinyl]-1H-indole-7-carbonitrile?
The InChIKey is OEPXMDDPQQJNPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N4O/c16-15(17)22-13-7-20-12(4-11(13)19)10-6-21-14-8(5-18)2-1-3-9(10)14/h1-4,6-7,15,21H,(H2,19,20).
What are the key properties of 3-[4-amino-5-(difluoromethoxy)-2-pyridinyl]-1H-indole-7-carbonitrile?
3-[4-amino-5-(difluoromethoxy)-2-pyridinyl]-1H-indole-7-carbonitrile has a molecular weight of 300.27 g/mol, XLogP of 3.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-amino-5-(difluoromethoxy)-2-pyridinyl]-1H-indole-7-carbonitrile is sourced from PubChem (CID 167351121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).