5-nitro-1-benzofuran-2-carbohydrazide

C9H7N3O4 — CID 30772172

IUPAC5-nitro-1-benzofuran-2-carbohydrazide
SMILESNNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1
InChIInChI=1S/C9H7N3O4/c10-11-9(13)8-4-5-3-6(12(14)15)1-2-7(5)16-8/h1-4H,10H2,(H,11,13)
InChIKeyKYTAXIVIRCEFSC-UHFFFAOYSA-N
MW221.17 g/mol
LogP0.94
Rot. Bonds2

About 5-nitro-1-benzofuran-2-carbohydrazide

5-nitro-1-benzofuran-2-carbohydrazide (PubChem CID 30772172) has the molecular formula C9H7N3O4 and a molecular weight of 221.17 g/mol. Its IUPAC name is 5-nitro-1-benzofuran-2-carbohydrazide.

Molecular Properties

Compound Name5-nitro-1-benzofuran-2-carbohydrazide
PubChem CID30772172
Molecular FormulaC9H7N3O4
Molecular Weight221.17 g/mol
Exact Mass221.04
IUPAC Name5-nitro-1-benzofuran-2-carbohydrazide
SMILESNNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1
InChIInChI=1S/C9H7N3O4/c10-11-9(13)8-4-5-3-6(12(14)15)1-2-7(5)16-8/h1-4H,10H2,(H,11,13)
InChIKeyKYTAXIVIRCEFSC-UHFFFAOYSA-N
XLogP0.94
TPSA111.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.17
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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-[(E)-benzylideneamino]-5-nitro-1-benzofuran-2-carboxamide
CID 121005396
(4-hydroxyphenyl)-(5-nitro-1-benzofuran-2-yl)methanone
CID 154334241
benzyl 5-nitro-1-benzofuran-2-carboxylate
CID 77230405
5-chloro-N-(4-nitrophenyl)-1-benzofuran-2-carboxamide
CID 18876031
5-bromo-N-(4-nitrophenyl)-1-benzofuran-2-carboxamide
CID 19225383
5-nitro-N-quinolin-6-yl-1-benzofuran-2-carboxamide
CID 936671
(4-methoxyphenyl)-(5-nitro-1-benzofuran-2-yl)methanone
CID 2728228
5-nitro-N-[(4-pentylphenyl)carbamothioyl]-1-benzofuran-2-carboxamide
CID 21041750
3-(5-nitro-1-benzofuran-2-yl)prop-2-enoic acid
CID 53396381
ethyl 3-(5-nitro-1-benzofuran-2-yl)prop-2-enoate
CID 54101415
5-(2-ethyl-4-nitrophenyl)furan-2-carbohydrazide
CID 91681056
N-(cyclopropylmethyl)-6-nitro-1-oxoisochromene-3-carboxamide
CID 172904148

Frequently Asked Questions

What is the IUPAC name of 5-nitro-1-benzofuran-2-carbohydrazide?
The IUPAC name of 5-nitro-1-benzofuran-2-carbohydrazide (CID 30772172) is 5-nitro-1-benzofuran-2-carbohydrazide.
What is the SMILES notation for 5-nitro-1-benzofuran-2-carbohydrazide?
The canonical SMILES for 5-nitro-1-benzofuran-2-carbohydrazide is NNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1.
What is the InChIKey of 5-nitro-1-benzofuran-2-carbohydrazide?
The InChIKey is KYTAXIVIRCEFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O4/c10-11-9(13)8-4-5-3-6(12(14)15)1-2-7(5)16-8/h1-4H,10H2,(H,11,13).
What are the key properties of 5-nitro-1-benzofuran-2-carbohydrazide?
5-nitro-1-benzofuran-2-carbohydrazide has a molecular weight of 221.17 g/mol, XLogP of 0.94, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-1-benzofuran-2-carbohydrazide is sourced from PubChem (CID 30772172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).