4-[(5-amino-6-ethoxy-2-pyridinyl)oxy]-3-fluorobenzonitrile

C14H12FN3O2 — CID 107670102

IUPAC4-[(5-amino-6-ethoxy-2-pyridinyl)oxy]-3-fluorobenzonitrile
SMILESCCOc1nc(Oc2ccc(C#N)cc2F)ccc1N
InChIInChI=1S/C14H12FN3O2/c1-2-19-14-11(17)4-6-13(18-14)20-12-5-3-9(8-16)7-10(12)15/h3-7H,2,17H2,1H3
InChIKeyMFKUXYPCYCLXNC-UHFFFAOYSA-N
MW273.27 g/mol
LogP2.87
Rot. Bonds4

About 4-[(5-amino-6-ethoxy-2-pyridinyl)oxy]-3-fluorobenzonitrile

4-[(5-amino-6-ethoxy-2-pyridinyl)oxy]-3-fluorobenzonitrile (PubChem CID 107670102) has the molecular formula C14H12FN3O2 and a molecular weight of 273.27 g/mol. Its IUPAC name is 4-[(5-amino-6-ethoxy-2-pyridinyl)oxy]-3-fluorobenzonitrile.

Molecular Properties

Compound Name4-[(5-amino-6-ethoxy-2-pyridinyl)oxy]-3-fluorobenzonitrile
PubChem CID107670102
Molecular FormulaC14H12FN3O2
Molecular Weight273.27 g/mol
Exact Mass273.09
IUPAC Name4-[(5-amino-6-ethoxy-2-pyridinyl)oxy]-3-fluorobenzonitrile
SMILESCCOc1nc(Oc2ccc(C#N)cc2F)ccc1N
InChIInChI=1S/C14H12FN3O2/c1-2-19-14-11(17)4-6-13(18-14)20-12-5-3-9(8-16)7-10(12)15/h3-7H,2,17H2,1H3
InChIKeyMFKUXYPCYCLXNC-UHFFFAOYSA-N
XLogP2.87
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.27
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[6-amino-2-(ethoxymethyl)pyrimidin-4-yl]oxy-3-fluorobenzonitrile
CID 107669716
6-(2-bromo-4-methylphenoxy)-2-ethoxypyridin-3-amine
CID 43262424
3-fluoro-4-(6-hydrazinylpyrimidin-4-yl)oxybenzonitrile
CID 107669861
4-[6-amino-2-(methoxymethyl)pyrimidin-4-yl]oxy-3-fluorobenzonitrile
CID 107669821
2-(4-cyano-2-fluorophenoxy)pyridine-4-carbonitrile
CID 107664811
3-[(5-amino-6-propoxy-2-pyridinyl)oxy]benzonitrile
CID 43262343
4-[(5-amino-3-chloro-2-pyridinyl)oxy]-3-fluorobenzonitrile
CID 114046415
4-(3-aminoquinoxalin-2-yl)oxy-3-fluorobenzonitrile
CID 107669541
4-(6-chloro-2-ethylpyrimidin-4-yl)oxy-3-fluorobenzonitrile
CID 107664678
4-(3,4-diaminophenoxy)-3-fluorobenzonitrile
CID 107670075
3-fluoro-4-[2-methyl-6-(propylamino)pyrimidin-4-yl]oxybenzonitrile
CID 107669782
4-[(5-amino-6-ethoxy-2-pyridinyl)amino]-3-bromobenzonitrile
CID 107787248

Frequently Asked Questions

What is the IUPAC name of 4-[(5-amino-6-ethoxy-2-pyridinyl)oxy]-3-fluorobenzonitrile?
The IUPAC name of 4-[(5-amino-6-ethoxy-2-pyridinyl)oxy]-3-fluorobenzonitrile (CID 107670102) is 4-[(5-amino-6-ethoxy-2-pyridinyl)oxy]-3-fluorobenzonitrile.
What is the SMILES notation for 4-[(5-amino-6-ethoxy-2-pyridinyl)oxy]-3-fluorobenzonitrile?
The canonical SMILES for 4-[(5-amino-6-ethoxy-2-pyridinyl)oxy]-3-fluorobenzonitrile is CCOc1nc(Oc2ccc(C#N)cc2F)ccc1N.
What is the InChIKey of 4-[(5-amino-6-ethoxy-2-pyridinyl)oxy]-3-fluorobenzonitrile?
The InChIKey is MFKUXYPCYCLXNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O2/c1-2-19-14-11(17)4-6-13(18-14)20-12-5-3-9(8-16)7-10(12)15/h3-7H,2,17H2,1H3.
What are the key properties of 4-[(5-amino-6-ethoxy-2-pyridinyl)oxy]-3-fluorobenzonitrile?
4-[(5-amino-6-ethoxy-2-pyridinyl)oxy]-3-fluorobenzonitrile has a molecular weight of 273.27 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-amino-6-ethoxy-2-pyridinyl)oxy]-3-fluorobenzonitrile is sourced from PubChem (CID 107670102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).