5-[(2-chloro-6-nitrophenoxy)methyl]furan-3-carbohydrazide

C12H10ClN3O5 — CID 107719018

IUPAC5-[(2-chloro-6-nitrophenoxy)methyl]furan-3-carbohydrazide
SMILESNNC(=O)c1coc(COc2c(Cl)cccc2[N+](=O)[O-])c1
InChIInChI=1S/C12H10ClN3O5/c13-9-2-1-3-10(16(18)19)11(9)21-6-8-4-7(5-20-8)12(17)15-14/h1-5H,6,14H2,(H,15,17)
InChIKeyABTQFCRKGUFHOL-UHFFFAOYSA-N
MW311.68 g/mol
LogP2.02
Rot. Bonds5

About 5-[(2-chloro-6-nitrophenoxy)methyl]furan-3-carbohydrazide

5-[(2-chloro-6-nitrophenoxy)methyl]furan-3-carbohydrazide (PubChem CID 107719018) has the molecular formula C12H10ClN3O5 and a molecular weight of 311.68 g/mol. Its IUPAC name is 5-[(2-chloro-6-nitrophenoxy)methyl]furan-3-carbohydrazide.

Molecular Properties

Compound Name5-[(2-chloro-6-nitrophenoxy)methyl]furan-3-carbohydrazide
PubChem CID107719018
Molecular FormulaC12H10ClN3O5
Molecular Weight311.68 g/mol
Exact Mass311.03
IUPAC Name5-[(2-chloro-6-nitrophenoxy)methyl]furan-3-carbohydrazide
SMILESNNC(=O)c1coc(COc2c(Cl)cccc2[N+](=O)[O-])c1
InChIInChI=1S/C12H10ClN3O5/c13-9-2-1-3-10(16(18)19)11(9)21-6-8-4-7(5-20-8)12(17)15-14/h1-5H,6,14H2,(H,15,17)
InChIKeyABTQFCRKGUFHOL-UHFFFAOYSA-N
XLogP2.02
TPSA120.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.68
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

5-[(2-bromo-6-nitrophenoxy)methyl]furan-3-carbohydrazide
CID 81496877
5-[(2,3-dichlorophenoxy)methyl]furan-3-carbohydrazide
CID 63575027
5-[(5-chloro-2-nitrophenoxy)methyl]furan-3-carbohydrazide
CID 63569482
5-[(2,4,6-trichlorophenoxy)methyl]furan-3-carbohydrazide
CID 63575773
5-[(2-nitro-3-pyridinyl)oxymethyl]furan-3-carbohydrazide
CID 63575736
5-[(2-fluoro-4-nitrophenoxy)methyl]furan-3-carbohydrazide
CID 63571230
5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-3-carbohydrazide
CID 103290412
1-chloro-2-(chloromethoxy)-3-nitrobenzene
CID 107715606
1-(2-chloro-6-nitrophenoxy)propan-2-one
CID 103764387
2-(2-chloro-6-nitrophenoxy)-1-(3-chlorophenyl)ethanone
CID 103764433
5-(phenylmethoxymethyl)furan-3-carbohydrazide
CID 55213199
4-chloro-3-nitrobenzohydrazide
CID 3704353

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-6-nitrophenoxy)methyl]furan-3-carbohydrazide?
The IUPAC name of 5-[(2-chloro-6-nitrophenoxy)methyl]furan-3-carbohydrazide (CID 107719018) is 5-[(2-chloro-6-nitrophenoxy)methyl]furan-3-carbohydrazide.
What is the SMILES notation for 5-[(2-chloro-6-nitrophenoxy)methyl]furan-3-carbohydrazide?
The canonical SMILES for 5-[(2-chloro-6-nitrophenoxy)methyl]furan-3-carbohydrazide is NNC(=O)c1coc(COc2c(Cl)cccc2[N+](=O)[O-])c1.
What is the InChIKey of 5-[(2-chloro-6-nitrophenoxy)methyl]furan-3-carbohydrazide?
The InChIKey is ABTQFCRKGUFHOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O5/c13-9-2-1-3-10(16(18)19)11(9)21-6-8-4-7(5-20-8)12(17)15-14/h1-5H,6,14H2,(H,15,17).
What are the key properties of 5-[(2-chloro-6-nitrophenoxy)methyl]furan-3-carbohydrazide?
5-[(2-chloro-6-nitrophenoxy)methyl]furan-3-carbohydrazide has a molecular weight of 311.68 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloro-6-nitrophenoxy)methyl]furan-3-carbohydrazide is sourced from PubChem (CID 107719018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).