(4R)-6-(hydroxymethyl)-4-[(E)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]-4H-pyran-3-ol

C12H12N4O5 — CID 98119142

IUPAC(4R)-6-(hydroxymethyl)-4-[(E)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]-4H-pyran-3-ol
SMILESO=[N+]([O-])c1ccc(N/N=C/[C@H]2C=C(CO)OC=C2O)nc1
InChIInChI=1S/C12H12N4O5/c17-6-10-3-8(11(18)7-21-10)4-14-15-12-2-1-9(5-13-12)16(19)20/h1-5,7-8,17-18H,6H2,(H,13,15)/b14-4+/t8-/m1/s1
InChIKeyHPLJDMPYMGWYQM-AWPGEDEESA-N
MW292.25 g/mol
LogP1.31
Rot. Bonds5

About (4R)-6-(hydroxymethyl)-4-[(E)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]-4H-pyran-3-ol

(4R)-6-(hydroxymethyl)-4-[(E)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]-4H-pyran-3-ol (PubChem CID 98119142) has the molecular formula C12H12N4O5 and a molecular weight of 292.25 g/mol. Its IUPAC name is (4R)-6-(hydroxymethyl)-4-[(E)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]-4H-pyran-3-ol.

Molecular Properties

Compound Name(4R)-6-(hydroxymethyl)-4-[(E)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]-4H-pyran-3-ol
PubChem CID98119142
Molecular FormulaC12H12N4O5
Molecular Weight292.25 g/mol
Exact Mass292.08
IUPAC Name(4R)-6-(hydroxymethyl)-4-[(E)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]-4H-pyran-3-ol
SMILESO=[N+]([O-])c1ccc(N/N=C/[C@H]2C=C(CO)OC=C2O)nc1
InChIInChI=1S/C12H12N4O5/c17-6-10-3-8(11(18)7-21-10)4-14-15-12-2-1-9(5-13-12)16(19)20/h1-5,7-8,17-18H,6H2,(H,13,15)/b14-4+/t8-/m1/s1
InChIKeyHPLJDMPYMGWYQM-AWPGEDEESA-N
XLogP1.31
TPSA130.11 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.25
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'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

N-[(Z)-2-ethylbutylideneamino]-5-nitropyridin-2-amine
CID 5355685
4-nitro-2-[(E)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol
CID 135563463
N-[(E)-(2,5-dimethylfuran-3-yl)methylideneamino]-5-nitropyridin-2-amine
CID 21374211
N-[(2-butoxyphenyl)methylideneamino]-5-nitropyridin-2-amine
CID 3637125
4-[[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]benzoic acid
CID 5065997
N-[(2-chloro-5-nitrophenyl)methylideneamino]-5-nitropyridin-2-amine
CID 3684648
2,6-dimethoxy-4-[(Z)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol
CID 135473372
2,3-dibromo-6-ethoxy-4-[[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol
CID 3744788
5-nitro-N-[(E)-1H-pyrrol-2-ylmethylideneamino]pyridin-2-amine
CID 135810238
2-bromo-6-iodo-4-[(Z)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol
CID 137064603
5-nitro-N-[(E)-[4-[(5-nitro-2-pyridinyl)oxy]cyclohexa-2,4-dien-1-yl]methylideneamino]pyridin-2-amine
CID 21208970
2-ethoxy-6-iodo-4-[(E)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol
CID 137152057

Frequently Asked Questions

What is the IUPAC name of (4R)-6-(hydroxymethyl)-4-[(E)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]-4H-pyran-3-ol?
The IUPAC name of (4R)-6-(hydroxymethyl)-4-[(E)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]-4H-pyran-3-ol (CID 98119142) is (4R)-6-(hydroxymethyl)-4-[(E)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]-4H-pyran-3-ol.
What is the SMILES notation for (4R)-6-(hydroxymethyl)-4-[(E)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]-4H-pyran-3-ol?
The canonical SMILES for (4R)-6-(hydroxymethyl)-4-[(E)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]-4H-pyran-3-ol is O=[N+]([O-])c1ccc(N/N=C/[C@H]2C=C(CO)OC=C2O)nc1.
What is the InChIKey of (4R)-6-(hydroxymethyl)-4-[(E)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]-4H-pyran-3-ol?
The InChIKey is HPLJDMPYMGWYQM-AWPGEDEESA-N. The full InChI is InChI=1S/C12H12N4O5/c17-6-10-3-8(11(18)7-21-10)4-14-15-12-2-1-9(5-13-12)16(19)20/h1-5,7-8,17-18H,6H2,(H,13,15)/b14-4+/t8-/m1/s1.
What are the key properties of (4R)-6-(hydroxymethyl)-4-[(E)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]-4H-pyran-3-ol?
(4R)-6-(hydroxymethyl)-4-[(E)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]-4H-pyran-3-ol has a molecular weight of 292.25 g/mol, XLogP of 1.31, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-(hydroxymethyl)-4-[(E)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]-4H-pyran-3-ol is sourced from PubChem (CID 98119142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).