2-amino-3-[2-(difluoromethoxy)phenyl]pyridine-4-carbonitrile

C13H9F2N3O — CID 118094433

IUPAC2-amino-3-[2-(difluoromethoxy)phenyl]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(N)c1-c1ccccc1OC(F)F
InChIInChI=1S/C13H9F2N3O/c14-13(15)19-10-4-2-1-3-9(10)11-8(7-16)5-6-18-12(11)17/h1-6,13H,(H2,17,18)
InChIKeyUIHHEYLXJDTZGD-UHFFFAOYSA-N
MW261.23 g/mol
LogP2.80
Rot. Bonds3

About 2-amino-3-[2-(difluoromethoxy)phenyl]pyridine-4-carbonitrile

2-amino-3-[2-(difluoromethoxy)phenyl]pyridine-4-carbonitrile (PubChem CID 118094433) has the molecular formula C13H9F2N3O and a molecular weight of 261.23 g/mol. Its IUPAC name is 2-amino-3-[2-(difluoromethoxy)phenyl]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-amino-3-[2-(difluoromethoxy)phenyl]pyridine-4-carbonitrile
PubChem CID118094433
Molecular FormulaC13H9F2N3O
Molecular Weight261.23 g/mol
Exact Mass261.07
IUPAC Name2-amino-3-[2-(difluoromethoxy)phenyl]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(N)c1-c1ccccc1OC(F)F
InChIInChI=1S/C13H9F2N3O/c14-13(15)19-10-4-2-1-3-9(10)11-8(7-16)5-6-18-12(11)17/h1-6,13H,(H2,17,18)
InChIKeyUIHHEYLXJDTZGD-UHFFFAOYSA-N
XLogP2.80
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.23
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[2-(difluoromethoxy)phenyl]pyridine-4-carbonitrile?
The IUPAC name of 2-amino-3-[2-(difluoromethoxy)phenyl]pyridine-4-carbonitrile (CID 118094433) is 2-amino-3-[2-(difluoromethoxy)phenyl]pyridine-4-carbonitrile.
What is the SMILES notation for 2-amino-3-[2-(difluoromethoxy)phenyl]pyridine-4-carbonitrile?
The canonical SMILES for 2-amino-3-[2-(difluoromethoxy)phenyl]pyridine-4-carbonitrile is N#Cc1ccnc(N)c1-c1ccccc1OC(F)F.
What is the InChIKey of 2-amino-3-[2-(difluoromethoxy)phenyl]pyridine-4-carbonitrile?
The InChIKey is UIHHEYLXJDTZGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F2N3O/c14-13(15)19-10-4-2-1-3-9(10)11-8(7-16)5-6-18-12(11)17/h1-6,13H,(H2,17,18).
What are the key properties of 2-amino-3-[2-(difluoromethoxy)phenyl]pyridine-4-carbonitrile?
2-amino-3-[2-(difluoromethoxy)phenyl]pyridine-4-carbonitrile has a molecular weight of 261.23 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[2-(difluoromethoxy)phenyl]pyridine-4-carbonitrile is sourced from PubChem (CID 118094433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).