3-amino-2-[(4-chlorophenyl)methoxy]pyridine-4-carbonitrile

C13H10ClN3O — CID 82813622

IUPAC3-amino-2-[(4-chlorophenyl)methoxy]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(OCc2ccc(Cl)cc2)c1N
InChIInChI=1S/C13H10ClN3O/c14-11-3-1-9(2-4-11)8-18-13-12(16)10(7-15)5-6-17-13/h1-6H,8,16H2
InChIKeyCQEISSGVDVCDKW-UHFFFAOYSA-N
MW259.70 g/mol
LogP2.77
Rot. Bonds3

About 3-amino-2-[(4-chlorophenyl)methoxy]pyridine-4-carbonitrile

3-amino-2-[(4-chlorophenyl)methoxy]pyridine-4-carbonitrile (PubChem CID 82813622) has the molecular formula C13H10ClN3O and a molecular weight of 259.70 g/mol. Its IUPAC name is 3-amino-2-[(4-chlorophenyl)methoxy]pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-amino-2-[(4-chlorophenyl)methoxy]pyridine-4-carbonitrile
PubChem CID82813622
Molecular FormulaC13H10ClN3O
Molecular Weight259.70 g/mol
Exact Mass259.05
IUPAC Name3-amino-2-[(4-chlorophenyl)methoxy]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(OCc2ccc(Cl)cc2)c1N
InChIInChI=1S/C13H10ClN3O/c14-11-3-1-9(2-4-11)8-18-13-12(16)10(7-15)5-6-17-13/h1-6H,8,16H2
InChIKeyCQEISSGVDVCDKW-UHFFFAOYSA-N
XLogP2.77
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.70
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[(4-chlorophenyl)methoxy]pyridine-4-carbonitrile?
The IUPAC name of 3-amino-2-[(4-chlorophenyl)methoxy]pyridine-4-carbonitrile (CID 82813622) is 3-amino-2-[(4-chlorophenyl)methoxy]pyridine-4-carbonitrile.
What is the SMILES notation for 3-amino-2-[(4-chlorophenyl)methoxy]pyridine-4-carbonitrile?
The canonical SMILES for 3-amino-2-[(4-chlorophenyl)methoxy]pyridine-4-carbonitrile is N#Cc1ccnc(OCc2ccc(Cl)cc2)c1N.
What is the InChIKey of 3-amino-2-[(4-chlorophenyl)methoxy]pyridine-4-carbonitrile?
The InChIKey is CQEISSGVDVCDKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O/c14-11-3-1-9(2-4-11)8-18-13-12(16)10(7-15)5-6-17-13/h1-6H,8,16H2.
What are the key properties of 3-amino-2-[(4-chlorophenyl)methoxy]pyridine-4-carbonitrile?
3-amino-2-[(4-chlorophenyl)methoxy]pyridine-4-carbonitrile has a molecular weight of 259.70 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[(4-chlorophenyl)methoxy]pyridine-4-carbonitrile is sourced from PubChem (CID 82813622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).