2-chloro-N-[(5-nitrofuran-2-yl)methylideneamino]pyridine-3-carboxamide

C11H7ClN4O4 — CID 3430896

IUPAC2-chloro-N-[(5-nitrofuran-2-yl)methylideneamino]pyridine-3-carboxamide
SMILESO=C(NN=Cc1ccc([N+](=O)[O-])o1)c1cccnc1Cl
InChIInChI=1S/C11H7ClN4O4/c12-10-8(2-1-5-13-10)11(17)15-14-6-7-3-4-9(20-7)16(18)19/h1-6H,(H,15,17)
InChIKeyCOGNLDRTBNURLV-UHFFFAOYSA-N
MW294.65 g/mol
LogP2.00
Rot. Bonds4

About 2-chloro-N-[(5-nitrofuran-2-yl)methylideneamino]pyridine-3-carboxamide

2-chloro-N-[(5-nitrofuran-2-yl)methylideneamino]pyridine-3-carboxamide (PubChem CID 3430896) has the molecular formula C11H7ClN4O4 and a molecular weight of 294.65 g/mol. Its IUPAC name is 2-chloro-N-[(5-nitrofuran-2-yl)methylideneamino]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[(5-nitrofuran-2-yl)methylideneamino]pyridine-3-carboxamide
PubChem CID3430896
Molecular FormulaC11H7ClN4O4
Molecular Weight294.65 g/mol
Exact Mass294.02
IUPAC Name2-chloro-N-[(5-nitrofuran-2-yl)methylideneamino]pyridine-3-carboxamide
SMILESO=C(NN=Cc1ccc([N+](=O)[O-])o1)c1cccnc1Cl
InChIInChI=1S/C11H7ClN4O4/c12-10-8(2-1-5-13-10)11(17)15-14-6-7-3-4-9(20-7)16(18)19/h1-6H,(H,15,17)
InChIKeyCOGNLDRTBNURLV-UHFFFAOYSA-N
XLogP2.00
TPSA110.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.65
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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

2,4-dichloro-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 825585
2-methoxy-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 3612541
N-[(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 569827
3-chloro-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 721907
2,4-dihydroxy-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 707922
4-hydroxy-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 172987811
N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]thiophene-2-carboxamide
CID 5428249
[(E)-(5-nitrofuran-2-yl)methylideneamino]urea;phosphoric acid
CID 139205306
N-[2-[2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-3-carboxamide
CID 3417730
3-methyl-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 5404081
N-[(5-nitrofuran-2-yl)methylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide
CID 3609120
N-[(E)-(5-nitrofuran-2-yl)methylideneamino]pyridin-2-amine
CID 5339902

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(5-nitrofuran-2-yl)methylideneamino]pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-[(5-nitrofuran-2-yl)methylideneamino]pyridine-3-carboxamide (CID 3430896) is 2-chloro-N-[(5-nitrofuran-2-yl)methylideneamino]pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[(5-nitrofuran-2-yl)methylideneamino]pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-[(5-nitrofuran-2-yl)methylideneamino]pyridine-3-carboxamide is O=C(NN=Cc1ccc([N+](=O)[O-])o1)c1cccnc1Cl.
What is the InChIKey of 2-chloro-N-[(5-nitrofuran-2-yl)methylideneamino]pyridine-3-carboxamide?
The InChIKey is COGNLDRTBNURLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN4O4/c12-10-8(2-1-5-13-10)11(17)15-14-6-7-3-4-9(20-7)16(18)19/h1-6H,(H,15,17).
What are the key properties of 2-chloro-N-[(5-nitrofuran-2-yl)methylideneamino]pyridine-3-carboxamide?
2-chloro-N-[(5-nitrofuran-2-yl)methylideneamino]pyridine-3-carboxamide has a molecular weight of 294.65 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(5-nitrofuran-2-yl)methylideneamino]pyridine-3-carboxamide is sourced from PubChem (CID 3430896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).