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

C12H7ClFN3O — CID 114046415

IUPAC4-[(5-amino-3-chloro-2-pyridinyl)oxy]-3-fluorobenzonitrile
SMILESN#Cc1ccc(Oc2ncc(N)cc2Cl)c(F)c1
InChIInChI=1S/C12H7ClFN3O/c13-9-4-8(16)6-17-12(9)18-11-2-1-7(5-15)3-10(11)14/h1-4,6H,16H2
InChIKeyWPQUEEZWAHIMAR-UHFFFAOYSA-N
MW263.66 g/mol
LogP3.12
Rot. Bonds2

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

4-[(5-amino-3-chloro-2-pyridinyl)oxy]-3-fluorobenzonitrile (PubChem CID 114046415) has the molecular formula C12H7ClFN3O and a molecular weight of 263.66 g/mol. Its IUPAC name is 4-[(5-amino-3-chloro-2-pyridinyl)oxy]-3-fluorobenzonitrile.

Molecular Properties

Compound Name4-[(5-amino-3-chloro-2-pyridinyl)oxy]-3-fluorobenzonitrile
PubChem CID114046415
Molecular FormulaC12H7ClFN3O
Molecular Weight263.66 g/mol
Exact Mass263.03
IUPAC Name4-[(5-amino-3-chloro-2-pyridinyl)oxy]-3-fluorobenzonitrile
SMILESN#Cc1ccc(Oc2ncc(N)cc2Cl)c(F)c1
InChIInChI=1S/C12H7ClFN3O/c13-9-4-8(16)6-17-12(9)18-11-2-1-7(5-15)3-10(11)14/h1-4,6H,16H2
InChIKeyWPQUEEZWAHIMAR-UHFFFAOYSA-N
XLogP3.12
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.66
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-6-(4-cyano-2-fluorophenoxy)pyridine-3-carboxylic acid
CID 107670301
4-(2-chloro-4-cyanophenoxy)-3-fluorobenzonitrile
CID 107664801
4-(3,4-dichlorophenoxy)-3-fluorobenzonitrile
CID 54897766
4-(4-amino-2,6-difluorophenoxy)-3-fluorobenzonitrile
CID 107670079
4-[(4-amino-2-chlorophenyl)methoxy]-3-fluorobenzonitrile
CID 107670241
4-(2-chloro-4-fluorophenoxy)-3-fluorobenzonitrile
CID 54880085
4-(3-aminoquinoxalin-2-yl)oxy-3-fluorobenzonitrile
CID 107669541
6-(2-bromo-4-chlorophenoxy)-5-chloropyridin-3-amine
CID 114046372
4-(3,4-diaminophenoxy)-3-fluorobenzonitrile
CID 107670075
4-(4-bromo-2-chlorophenoxy)-3-fluorobenzonitrile
CID 43657480
4-[(5-amino-6-ethoxy-2-pyridinyl)oxy]-3-fluorobenzonitrile
CID 107670102
4-(6-chloro-5-propylpyrimidin-4-yl)oxy-3-fluorobenzonitrile
CID 107664674

Frequently Asked Questions

What is the IUPAC name of 4-[(5-amino-3-chloro-2-pyridinyl)oxy]-3-fluorobenzonitrile?
The IUPAC name of 4-[(5-amino-3-chloro-2-pyridinyl)oxy]-3-fluorobenzonitrile (CID 114046415) is 4-[(5-amino-3-chloro-2-pyridinyl)oxy]-3-fluorobenzonitrile.
What is the SMILES notation for 4-[(5-amino-3-chloro-2-pyridinyl)oxy]-3-fluorobenzonitrile?
The canonical SMILES for 4-[(5-amino-3-chloro-2-pyridinyl)oxy]-3-fluorobenzonitrile is N#Cc1ccc(Oc2ncc(N)cc2Cl)c(F)c1.
What is the InChIKey of 4-[(5-amino-3-chloro-2-pyridinyl)oxy]-3-fluorobenzonitrile?
The InChIKey is WPQUEEZWAHIMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClFN3O/c13-9-4-8(16)6-17-12(9)18-11-2-1-7(5-15)3-10(11)14/h1-4,6H,16H2.
What are the key properties of 4-[(5-amino-3-chloro-2-pyridinyl)oxy]-3-fluorobenzonitrile?
4-[(5-amino-3-chloro-2-pyridinyl)oxy]-3-fluorobenzonitrile has a molecular weight of 263.66 g/mol, XLogP of 3.12, 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-chloro-2-pyridinyl)oxy]-3-fluorobenzonitrile is sourced from PubChem (CID 114046415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).