2-amino-4-(3,4-dichlorophenyl)-6-(furan-2-yl)pyridine-3-carbonitrile

C16H9Cl2N3O — CID 24950529

IUPAC2-amino-4-(3,4-dichlorophenyl)-6-(furan-2-yl)pyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccc(Cl)c(Cl)c2)cc(-c2ccco2)nc1N
InChIInChI=1S/C16H9Cl2N3O/c17-12-4-3-9(6-13(12)18)10-7-14(15-2-1-5-22-15)21-16(20)11(10)8-19/h1-7H,(H2,20,21)
InChIKeyXMMUMHCWYXOCQE-UHFFFAOYSA-N
MW330.17 g/mol
LogP4.77
Rot. Bonds2

About 2-amino-4-(3,4-dichlorophenyl)-6-(furan-2-yl)pyridine-3-carbonitrile

2-amino-4-(3,4-dichlorophenyl)-6-(furan-2-yl)pyridine-3-carbonitrile (PubChem CID 24950529) has the molecular formula C16H9Cl2N3O and a molecular weight of 330.17 g/mol. Its IUPAC name is 2-amino-4-(3,4-dichlorophenyl)-6-(furan-2-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(3,4-dichlorophenyl)-6-(furan-2-yl)pyridine-3-carbonitrile
PubChem CID24950529
Molecular FormulaC16H9Cl2N3O
Molecular Weight330.17 g/mol
Exact Mass329.01
IUPAC Name2-amino-4-(3,4-dichlorophenyl)-6-(furan-2-yl)pyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccc(Cl)c(Cl)c2)cc(-c2ccco2)nc1N
InChIInChI=1S/C16H9Cl2N3O/c17-12-4-3-9(6-13(12)18)10-7-14(15-2-1-5-22-15)21-16(20)11(10)8-19/h1-7H,(H2,20,21)
InChIKeyXMMUMHCWYXOCQE-UHFFFAOYSA-N
XLogP4.77
TPSA75.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.17
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3,4-dichlorophenyl)-6-(furan-2-yl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(3,4-dichlorophenyl)-6-(furan-2-yl)pyridine-3-carbonitrile (CID 24950529) is 2-amino-4-(3,4-dichlorophenyl)-6-(furan-2-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(3,4-dichlorophenyl)-6-(furan-2-yl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(3,4-dichlorophenyl)-6-(furan-2-yl)pyridine-3-carbonitrile is N#Cc1c(-c2ccc(Cl)c(Cl)c2)cc(-c2ccco2)nc1N.
What is the InChIKey of 2-amino-4-(3,4-dichlorophenyl)-6-(furan-2-yl)pyridine-3-carbonitrile?
The InChIKey is XMMUMHCWYXOCQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9Cl2N3O/c17-12-4-3-9(6-13(12)18)10-7-14(15-2-1-5-22-15)21-16(20)11(10)8-19/h1-7H,(H2,20,21).
What are the key properties of 2-amino-4-(3,4-dichlorophenyl)-6-(furan-2-yl)pyridine-3-carbonitrile?
2-amino-4-(3,4-dichlorophenyl)-6-(furan-2-yl)pyridine-3-carbonitrile has a molecular weight of 330.17 g/mol, XLogP of 4.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3,4-dichlorophenyl)-6-(furan-2-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 24950529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).