4-[(5-amino-3-pyridinyl)oxy]-2-fluorobenzonitrile

C12H8FN3O — CID 104536926

IUPAC4-[(5-amino-3-pyridinyl)oxy]-2-fluorobenzonitrile
SMILESN#Cc1ccc(Oc2cncc(N)c2)cc1F
InChIInChI=1S/C12H8FN3O/c13-12-4-10(2-1-8(12)5-14)17-11-3-9(15)6-16-7-11/h1-4,6-7H,15H2
InChIKeyDAVMHGPBTOMLCX-UHFFFAOYSA-N
MW229.21 g/mol
LogP2.47
Rot. Bonds2

About 4-[(5-amino-3-pyridinyl)oxy]-2-fluorobenzonitrile

4-[(5-amino-3-pyridinyl)oxy]-2-fluorobenzonitrile (PubChem CID 104536926) has the molecular formula C12H8FN3O and a molecular weight of 229.21 g/mol. Its IUPAC name is 4-[(5-amino-3-pyridinyl)oxy]-2-fluorobenzonitrile.

Molecular Properties

Compound Name4-[(5-amino-3-pyridinyl)oxy]-2-fluorobenzonitrile
PubChem CID104536926
Molecular FormulaC12H8FN3O
Molecular Weight229.21 g/mol
Exact Mass229.07
IUPAC Name4-[(5-amino-3-pyridinyl)oxy]-2-fluorobenzonitrile
SMILESN#Cc1ccc(Oc2cncc(N)c2)cc1F
InChIInChI=1S/C12H8FN3O/c13-12-4-10(2-1-8(12)5-14)17-11-3-9(15)6-16-7-11/h1-4,6-7H,15H2
InChIKeyDAVMHGPBTOMLCX-UHFFFAOYSA-N
XLogP2.47
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.21
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-fluoro-4-methylphenoxy)pyridin-3-amine
CID 107171750
4-[(6-amino-3,5-dichloro-2-pyridinyl)oxy]-2-fluorobenzonitrile
CID 102761068
4-[(3-amino-6-chloro-2-pyridinyl)oxy]-2-fluorobenzonitrile
CID 113317073
4-(4-amino-3-fluorophenoxy)-2-methylbenzonitrile
CID 81278641
4-(6-amino-5-bromopyrimidin-4-yl)oxy-2-fluorobenzonitrile
CID 114073522
4-amino-2-fluorobenzonitrile;dihydrofluoride
CID 146317579
5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyridin-3-amine
CID 113424380
4-(2-amino-3-methylphenoxy)-2-fluorobenzonitrile
CID 114041417
CID 66974147
CID 66974147
2-fluoro-4-[[6-[(1R)-1-hydroxypropyl]-3-pyridinyl]oxy]benzonitrile
CID 103939277
4-(6-amino-2-tert-butylpyrimidin-4-yl)oxy-2-fluorobenzonitrile
CID 80962880
2-fluoro-4-(trifluoromethoxy)benzonitrile
CID 66523443

Frequently Asked Questions

What is the IUPAC name of 4-[(5-amino-3-pyridinyl)oxy]-2-fluorobenzonitrile?
The IUPAC name of 4-[(5-amino-3-pyridinyl)oxy]-2-fluorobenzonitrile (CID 104536926) is 4-[(5-amino-3-pyridinyl)oxy]-2-fluorobenzonitrile.
What is the SMILES notation for 4-[(5-amino-3-pyridinyl)oxy]-2-fluorobenzonitrile?
The canonical SMILES for 4-[(5-amino-3-pyridinyl)oxy]-2-fluorobenzonitrile is N#Cc1ccc(Oc2cncc(N)c2)cc1F.
What is the InChIKey of 4-[(5-amino-3-pyridinyl)oxy]-2-fluorobenzonitrile?
The InChIKey is DAVMHGPBTOMLCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FN3O/c13-12-4-10(2-1-8(12)5-14)17-11-3-9(15)6-16-7-11/h1-4,6-7H,15H2.
What are the key properties of 4-[(5-amino-3-pyridinyl)oxy]-2-fluorobenzonitrile?
4-[(5-amino-3-pyridinyl)oxy]-2-fluorobenzonitrile has a molecular weight of 229.21 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-amino-3-pyridinyl)oxy]-2-fluorobenzonitrile is sourced from PubChem (CID 104536926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).