5-(2-chloro-4-formylphenoxy)pyridine-3-carbonitrile

C13H7ClN2O2 — CID 86689901

IUPAC5-(2-chloro-4-formylphenoxy)pyridine-3-carbonitrile
SMILESN#Cc1cncc(Oc2ccc(C=O)cc2Cl)c1
InChIInChI=1S/C13H7ClN2O2/c14-12-4-9(8-17)1-2-13(12)18-11-3-10(5-15)6-16-7-11/h1-4,6-8H
InChIKeyYOXRRZVSFIKXLY-UHFFFAOYSA-N
MW258.66 g/mol
LogP3.21
Rot. Bonds3

About 5-(2-chloro-4-formylphenoxy)pyridine-3-carbonitrile

5-(2-chloro-4-formylphenoxy)pyridine-3-carbonitrile (PubChem CID 86689901) has the molecular formula C13H7ClN2O2 and a molecular weight of 258.66 g/mol. Its IUPAC name is 5-(2-chloro-4-formylphenoxy)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-(2-chloro-4-formylphenoxy)pyridine-3-carbonitrile
PubChem CID86689901
Molecular FormulaC13H7ClN2O2
Molecular Weight258.66 g/mol
Exact Mass258.02
IUPAC Name5-(2-chloro-4-formylphenoxy)pyridine-3-carbonitrile
SMILESN#Cc1cncc(Oc2ccc(C=O)cc2Cl)c1
InChIInChI=1S/C13H7ClN2O2/c14-12-4-9(8-17)1-2-13(12)18-11-3-10(5-15)6-16-7-11/h1-4,6-8H
InChIKeyYOXRRZVSFIKXLY-UHFFFAOYSA-N
XLogP3.21
TPSA62.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.66
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-chloro-4-[(6-methyl-3-pyridinyl)oxy]benzaldehyde
CID 81151107
4-[(5-chloro-3-pyridinyl)oxy]-3-methylbenzaldehyde
CID 64601191
3-chloro-4-pyridin-3-yloxybenzonitrile
CID 63088061
5-formylpyridine-3-carbonitrile
CID 12919806
3-chloro-4-(3-chlorophenoxy)benzaldehyde
CID 81152636
4-(4-tert-butylphenoxy)-3-chlorobenzaldehyde
CID 81151884
3-chloro-4-(4-chloro-3-methylphenoxy)benzaldehyde
CID 81145845
3-[(5-chloro-3-pyridinyl)oxy]-4-methylbenzaldehyde
CID 105405596
5-[2-fluoro-4-(hydroxymethyl)phenoxy]pyridine-3-carbonitrile
CID 66826150
3-chloro-4-[(2-chloro-4-formylphenoxy)methyl]benzonitrile
CID 102666727
3-chloro-4-(4-ethylphenoxy)benzaldehyde
CID 81151574
4-(3-bromophenoxy)-3-chlorobenzaldehyde
CID 81152635

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-4-formylphenoxy)pyridine-3-carbonitrile?
The IUPAC name of 5-(2-chloro-4-formylphenoxy)pyridine-3-carbonitrile (CID 86689901) is 5-(2-chloro-4-formylphenoxy)pyridine-3-carbonitrile.
What is the SMILES notation for 5-(2-chloro-4-formylphenoxy)pyridine-3-carbonitrile?
The canonical SMILES for 5-(2-chloro-4-formylphenoxy)pyridine-3-carbonitrile is N#Cc1cncc(Oc2ccc(C=O)cc2Cl)c1.
What is the InChIKey of 5-(2-chloro-4-formylphenoxy)pyridine-3-carbonitrile?
The InChIKey is YOXRRZVSFIKXLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClN2O2/c14-12-4-9(8-17)1-2-13(12)18-11-3-10(5-15)6-16-7-11/h1-4,6-8H.
What are the key properties of 5-(2-chloro-4-formylphenoxy)pyridine-3-carbonitrile?
5-(2-chloro-4-formylphenoxy)pyridine-3-carbonitrile has a molecular weight of 258.66 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-4-formylphenoxy)pyridine-3-carbonitrile is sourced from PubChem (CID 86689901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).