N-(6-chloro-2-pyridinyl)-5-nitrofuran-2-carboxamide

C10H6ClN3O4 — CID 115683192

IUPACN-(6-chloro-2-pyridinyl)-5-nitrofuran-2-carboxamide
SMILESO=C(Nc1cccc(Cl)n1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C10H6ClN3O4/c11-7-2-1-3-8(12-7)13-10(15)6-4-5-9(18-6)14(16)17/h1-5H,(H,12,13,15)
InChIKeyWRJNAEJRLUEWKN-UHFFFAOYSA-N
MW267.63 g/mol
LogP2.49
Rot. Bonds3

About N-(6-chloro-2-pyridinyl)-5-nitrofuran-2-carboxamide

N-(6-chloro-2-pyridinyl)-5-nitrofuran-2-carboxamide (PubChem CID 115683192) has the molecular formula C10H6ClN3O4 and a molecular weight of 267.63 g/mol. Its IUPAC name is N-(6-chloro-2-pyridinyl)-5-nitrofuran-2-carboxamide.

Molecular Properties

Compound NameN-(6-chloro-2-pyridinyl)-5-nitrofuran-2-carboxamide
PubChem CID115683192
Molecular FormulaC10H6ClN3O4
Molecular Weight267.63 g/mol
Exact Mass267.00
IUPAC NameN-(6-chloro-2-pyridinyl)-5-nitrofuran-2-carboxamide
SMILESO=C(Nc1cccc(Cl)n1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C10H6ClN3O4/c11-7-2-1-3-8(12-7)13-10(15)6-4-5-9(18-6)14(16)17/h1-5H,(H,12,13,15)
InChIKeyWRJNAEJRLUEWKN-UHFFFAOYSA-N
XLogP2.49
TPSA98.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.63
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-5-nitrofuran-2-carboxamide
CID 60804555
N-(2-bromo-3-chlorophenyl)-5-nitrofuran-2-carboxamide
CID 103479831
3-chloro-N-(6-chloro-2-pyridinyl)-2-nitrobenzamide
CID 79946418
N-(4-chloro-2-iodophenyl)-5-nitrofuran-2-carboxamide
CID 113257818
5-nitro-N-quinolin-8-ylfuran-2-carboxamide
CID 935321
N-[4-[(3-chlorobenzoyl)amino]phenyl]-5-nitrofuran-2-carboxamide
CID 3117355
ethane;5-nitro-N-phenylfuran-2-carboxamide
CID 145187045
N-[(4-chlorophenyl)methyl]-5-nitrofuran-2-carboxamide
CID 17146050
N-(2-iodophenyl)-5-nitrofuran-2-carboxamide
CID 3269060
5-nitro-N-pyridin-1-ium-3-ylfuran-2-carboxamide
CID 4072489
N-(2-methylquinolin-8-yl)-5-nitrofuran-2-carboxamide
CID 2993763
N-(4-anilinophenyl)-5-nitrofuran-2-carboxamide
CID 17146584

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-2-pyridinyl)-5-nitrofuran-2-carboxamide?
The IUPAC name of N-(6-chloro-2-pyridinyl)-5-nitrofuran-2-carboxamide (CID 115683192) is N-(6-chloro-2-pyridinyl)-5-nitrofuran-2-carboxamide.
What is the SMILES notation for N-(6-chloro-2-pyridinyl)-5-nitrofuran-2-carboxamide?
The canonical SMILES for N-(6-chloro-2-pyridinyl)-5-nitrofuran-2-carboxamide is O=C(Nc1cccc(Cl)n1)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of N-(6-chloro-2-pyridinyl)-5-nitrofuran-2-carboxamide?
The InChIKey is WRJNAEJRLUEWKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClN3O4/c11-7-2-1-3-8(12-7)13-10(15)6-4-5-9(18-6)14(16)17/h1-5H,(H,12,13,15).
What are the key properties of N-(6-chloro-2-pyridinyl)-5-nitrofuran-2-carboxamide?
N-(6-chloro-2-pyridinyl)-5-nitrofuran-2-carboxamide has a molecular weight of 267.63 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-2-pyridinyl)-5-nitrofuran-2-carboxamide is sourced from PubChem (CID 115683192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).