2-amino-6-chloro-4-(5-nitrofuran-2-yl)pyridine-3,5-dicarbonitrile

C11H4ClN5O3 — CID 641460

IUPAC2-amino-6-chloro-4-(5-nitrofuran-2-yl)pyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)nc(Cl)c(C#N)c1-c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C11H4ClN5O3/c12-10-5(3-13)9(6(4-14)11(15)16-10)7-1-2-8(20-7)17(18)19/h1-2H,(H2,15,16)
InChIKeyPMVXSIXXNUYBON-UHFFFAOYSA-N
MW289.64 g/mol
LogP2.23
Rot. Bonds2

About 2-amino-6-chloro-4-(5-nitrofuran-2-yl)pyridine-3,5-dicarbonitrile

2-amino-6-chloro-4-(5-nitrofuran-2-yl)pyridine-3,5-dicarbonitrile (PubChem CID 641460) has the molecular formula C11H4ClN5O3 and a molecular weight of 289.64 g/mol. Its IUPAC name is 2-amino-6-chloro-4-(5-nitrofuran-2-yl)pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-6-chloro-4-(5-nitrofuran-2-yl)pyridine-3,5-dicarbonitrile
PubChem CID641460
Molecular FormulaC11H4ClN5O3
Molecular Weight289.64 g/mol
Exact Mass289.00
IUPAC Name2-amino-6-chloro-4-(5-nitrofuran-2-yl)pyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)nc(Cl)c(C#N)c1-c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C11H4ClN5O3/c12-10-5(3-13)9(6(4-14)11(15)16-10)7-1-2-8(20-7)17(18)19/h1-2H,(H2,15,16)
InChIKeyPMVXSIXXNUYBON-UHFFFAOYSA-N
XLogP2.23
TPSA142.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.64
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-amino-6-benzylsulfanyl-4-[5-(2-nitrophenyl)furan-2-yl]pyridine-3,5-dicarbonitrile
CID 2833656
5-iodo-4-(5-nitrofuran-2-yl)-1,3-thiazol-2-amine
CID 12007693
2-chloro-3-(5-nitrofuran-2-yl)pyridine
CID 165356727
2-amino-5-methyl-6-(4-methylphenyl)-4-(4-nitrophenyl)pyridine-3-carbonitrile
CID 5172953
2-amino-5,6-dimethyl-4-(4-nitrophenyl)pyridine-3-carbonitrile
CID 4633797
6-bromo-7-methyl-2-(5-nitrofuran-2-yl)imidazo[1,2-a]pyridin-3-amine
CID 79736809
2-methylsulfanyl-5-(5-nitrofuran-2-yl)-1,3-thiazol-4-amine
CID 13327587
3-amino-6-chloro-5-(5-methylfuran-2-yl)pyrazine-2-carbonitrile
CID 155227739
3-(1-chloroethyl)-5-(5-nitrofuran-2-yl)-1,2,4-oxadiazole
CID 102661051
5-amino-3-(5-nitrofuran-2-yl)-1,2-oxazole-4-carboxylic acid
CID 154119758
4-[2-(5-nitrofuran-2-yl)ethenyl]pyrimidin-2-amine
CID 131858262
2-(methylamino)-6-[(5-nitrofuran-2-yl)methylsulfanyl]-4-phenylpyridine-3,5-dicarbonitrile
CID 10293831

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-chloro-4-(5-nitrofuran-2-yl)pyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-6-chloro-4-(5-nitrofuran-2-yl)pyridine-3,5-dicarbonitrile (CID 641460) is 2-amino-6-chloro-4-(5-nitrofuran-2-yl)pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-6-chloro-4-(5-nitrofuran-2-yl)pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-6-chloro-4-(5-nitrofuran-2-yl)pyridine-3,5-dicarbonitrile is N#Cc1c(N)nc(Cl)c(C#N)c1-c1ccc([N+](=O)[O-])o1.
What is the InChIKey of 2-amino-6-chloro-4-(5-nitrofuran-2-yl)pyridine-3,5-dicarbonitrile?
The InChIKey is PMVXSIXXNUYBON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H4ClN5O3/c12-10-5(3-13)9(6(4-14)11(15)16-10)7-1-2-8(20-7)17(18)19/h1-2H,(H2,15,16).
What are the key properties of 2-amino-6-chloro-4-(5-nitrofuran-2-yl)pyridine-3,5-dicarbonitrile?
2-amino-6-chloro-4-(5-nitrofuran-2-yl)pyridine-3,5-dicarbonitrile has a molecular weight of 289.64 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-chloro-4-(5-nitrofuran-2-yl)pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 641460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).