(5-nitrofuran-2-yl)methanol

C5H5NO4 — CID 17230

IUPAC(5-nitrofuran-2-yl)methanol
SMILESO=[N+]([O-])c1ccc(CO)o1
InChIInChI=1S/C5H5NO4/c7-3-4-1-2-5(10-4)6(8)9/h1-2,7H,3H2
InChIKeyNDSTUUPEXNCUNW-UHFFFAOYSA-N
MW143.10 g/mol
LogP0.68
Rot. Bonds2

About (5-nitrofuran-2-yl)methanol

(5-nitrofuran-2-yl)methanol (PubChem CID 17230) has the molecular formula C5H5NO4 and a molecular weight of 143.10 g/mol. Its IUPAC name is (5-nitrofuran-2-yl)methanol.

Molecular Properties

Compound Name(5-nitrofuran-2-yl)methanol
PubChem CID17230
Molecular FormulaC5H5NO4
Molecular Weight143.10 g/mol
Exact Mass143.02
IUPAC Name(5-nitrofuran-2-yl)methanol
SMILESO=[N+]([O-])c1ccc(CO)o1
InChIInChI=1S/C5H5NO4/c7-3-4-1-2-5(10-4)6(8)9/h1-2,7H,3H2
InChIKeyNDSTUUPEXNCUNW-UHFFFAOYSA-N
XLogP0.68
TPSA76.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.10
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-Nitrofurfural
CID 12774
3-(5-Nitro-2-furyl)acrylic acid
CID 702695
5-Nitro-2-furanmethanediol diacetate
CID 7097
Ethyl 3-(5-nitro-2-furyl)acrylate
CID 899314
Methyl 5-nitro-2-furoate
CID 94882
5-Nitrofuryl-2-acrolein
CID 5462962
2-(Methoxymethyl)-5-nitrofuran
CID 11469
2-Nitro-5-((1E)-2-nitroethenyl)furan
CID 5355406
5-Nitro-2-Furoic Acid
CID 12577
Ethyl 5-nitro-2-furoate
CID 70341
Furan, 2-methyl-5-nitro-
CID 13206
5-Nitrofurfuryl acetate
CID 79412

Frequently Asked Questions

What is the IUPAC name of (5-nitrofuran-2-yl)methanol?
The IUPAC name of (5-nitrofuran-2-yl)methanol (CID 17230) is (5-nitrofuran-2-yl)methanol.
What is the SMILES notation for (5-nitrofuran-2-yl)methanol?
The canonical SMILES for (5-nitrofuran-2-yl)methanol is O=[N+]([O-])c1ccc(CO)o1.
What is the InChIKey of (5-nitrofuran-2-yl)methanol?
The InChIKey is NDSTUUPEXNCUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO4/c7-3-4-1-2-5(10-4)6(8)9/h1-2,7H,3H2.
What are the key properties of (5-nitrofuran-2-yl)methanol?
(5-nitrofuran-2-yl)methanol has a molecular weight of 143.10 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-nitrofuran-2-yl)methanol is sourced from PubChem (CID 17230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).