2-[4-[(4-amino-2-pyridinyl)methoxy]phenyl]acetonitrile

C14H13N3O — CID 79251659

IUPAC2-[4-[(4-amino-2-pyridinyl)methoxy]phenyl]acetonitrile
SMILESN#CCc1ccc(OCc2cc(N)ccn2)cc1
InChIInChI=1S/C14H13N3O/c15-7-5-11-1-3-14(4-2-11)18-10-13-9-12(16)6-8-17-13/h1-4,6,8-9H,5,10H2,(H2,16,17)
InChIKeyFTFHSPAMTWPKQK-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.31
Rot. Bonds4

About 2-[4-[(4-amino-2-pyridinyl)methoxy]phenyl]acetonitrile

2-[4-[(4-amino-2-pyridinyl)methoxy]phenyl]acetonitrile (PubChem CID 79251659) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 2-[4-[(4-amino-2-pyridinyl)methoxy]phenyl]acetonitrile.

Molecular Properties

Compound Name2-[4-[(4-amino-2-pyridinyl)methoxy]phenyl]acetonitrile
PubChem CID79251659
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name2-[4-[(4-amino-2-pyridinyl)methoxy]phenyl]acetonitrile
SMILESN#CCc1ccc(OCc2cc(N)ccn2)cc1
InChIInChI=1S/C14H13N3O/c15-7-5-11-1-3-14(4-2-11)18-10-13-9-12(16)6-8-17-13/h1-4,6,8-9H,5,10H2,(H2,16,17)
InChIKeyFTFHSPAMTWPKQK-UHFFFAOYSA-N
XLogP2.31
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-amino-2-pyridinyl)methoxy]phenyl]acetonitrile?
The IUPAC name of 2-[4-[(4-amino-2-pyridinyl)methoxy]phenyl]acetonitrile (CID 79251659) is 2-[4-[(4-amino-2-pyridinyl)methoxy]phenyl]acetonitrile.
What is the SMILES notation for 2-[4-[(4-amino-2-pyridinyl)methoxy]phenyl]acetonitrile?
The canonical SMILES for 2-[4-[(4-amino-2-pyridinyl)methoxy]phenyl]acetonitrile is N#CCc1ccc(OCc2cc(N)ccn2)cc1.
What is the InChIKey of 2-[4-[(4-amino-2-pyridinyl)methoxy]phenyl]acetonitrile?
The InChIKey is FTFHSPAMTWPKQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c15-7-5-11-1-3-14(4-2-11)18-10-13-9-12(16)6-8-17-13/h1-4,6,8-9H,5,10H2,(H2,16,17).
What are the key properties of 2-[4-[(4-amino-2-pyridinyl)methoxy]phenyl]acetonitrile?
2-[4-[(4-amino-2-pyridinyl)methoxy]phenyl]acetonitrile has a molecular weight of 239.28 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-amino-2-pyridinyl)methoxy]phenyl]acetonitrile is sourced from PubChem (CID 79251659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).