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

C12H7ClFN3O — CID 113317073

IUPAC4-[(3-amino-6-chloro-2-pyridinyl)oxy]-2-fluorobenzonitrile
SMILESN#Cc1ccc(Oc2nc(Cl)ccc2N)cc1F
InChIInChI=1S/C12H7ClFN3O/c13-11-4-3-10(16)12(17-11)18-8-2-1-7(6-15)9(14)5-8/h1-5H,16H2
InChIKeyJRUQNSMIBHKPFM-UHFFFAOYSA-N
MW263.66 g/mol
LogP3.12
Rot. Bonds2

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

4-[(3-amino-6-chloro-2-pyridinyl)oxy]-2-fluorobenzonitrile (PubChem CID 113317073) has the molecular formula C12H7ClFN3O and a molecular weight of 263.66 g/mol. Its IUPAC name is 4-[(3-amino-6-chloro-2-pyridinyl)oxy]-2-fluorobenzonitrile.

Molecular Properties

Compound Name4-[(3-amino-6-chloro-2-pyridinyl)oxy]-2-fluorobenzonitrile
PubChem CID113317073
Molecular FormulaC12H7ClFN3O
Molecular Weight263.66 g/mol
Exact Mass263.03
IUPAC Name4-[(3-amino-6-chloro-2-pyridinyl)oxy]-2-fluorobenzonitrile
SMILESN#Cc1ccc(Oc2nc(Cl)ccc2N)cc1F
InChIInChI=1S/C12H7ClFN3O/c13-11-4-3-10(16)12(17-11)18-8-2-1-7(6-15)9(14)5-8/h1-5H,16H2
InChIKeyJRUQNSMIBHKPFM-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-[(6-amino-3,5-dichloro-2-pyridinyl)oxy]-2-fluorobenzonitrile
CID 102761068
4-(6-amino-5-bromopyrimidin-4-yl)oxy-2-fluorobenzonitrile
CID 114073522
4-[5-chloro-2-(methylamino)pyrimidin-4-yl]oxy-2-fluorobenzonitrile
CID 80883706
4-(6-chloro-2-ethylpyrimidin-4-yl)oxy-2-fluorobenzonitrile
CID 80944458
4-[(5-amino-3-pyridinyl)oxy]-2-fluorobenzonitrile
CID 104536926
2-(4-chloro-3-fluorophenoxy)-6-methylpyridin-3-amine
CID 82716853
4-(4-amino-3-fluorophenoxy)-2-methylbenzonitrile
CID 81278641
2-(3-bromophenoxy)-6-chloropyridin-3-amine
CID 115474432
3-[(3-amino-6-chloro-2-pyridinyl)oxy]-5-methoxybenzamide
CID 103566441
4-[(2-chloro-5-methyl-4-pyridinyl)oxy]-2-fluorobenzonitrile
CID 83269918
2-[3-bromo-4-(trifluoromethoxy)phenoxy]-6-chloropyridin-3-amine
CID 102713947
6-chloro-2-(3-methyl-4-propan-2-ylphenoxy)pyridin-3-amine
CID 115474420

Frequently Asked Questions

What is the IUPAC name of 4-[(3-amino-6-chloro-2-pyridinyl)oxy]-2-fluorobenzonitrile?
The IUPAC name of 4-[(3-amino-6-chloro-2-pyridinyl)oxy]-2-fluorobenzonitrile (CID 113317073) is 4-[(3-amino-6-chloro-2-pyridinyl)oxy]-2-fluorobenzonitrile.
What is the SMILES notation for 4-[(3-amino-6-chloro-2-pyridinyl)oxy]-2-fluorobenzonitrile?
The canonical SMILES for 4-[(3-amino-6-chloro-2-pyridinyl)oxy]-2-fluorobenzonitrile is N#Cc1ccc(Oc2nc(Cl)ccc2N)cc1F.
What is the InChIKey of 4-[(3-amino-6-chloro-2-pyridinyl)oxy]-2-fluorobenzonitrile?
The InChIKey is JRUQNSMIBHKPFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClFN3O/c13-11-4-3-10(16)12(17-11)18-8-2-1-7(6-15)9(14)5-8/h1-5H,16H2.
What are the key properties of 4-[(3-amino-6-chloro-2-pyridinyl)oxy]-2-fluorobenzonitrile?
4-[(3-amino-6-chloro-2-pyridinyl)oxy]-2-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-[(3-amino-6-chloro-2-pyridinyl)oxy]-2-fluorobenzonitrile is sourced from PubChem (CID 113317073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).