1-(2-hydroxy-4-nitrophenyl)-3-pyridin-2-ylthiourea

C12H10N4O3S — CID 141486906

IUPAC1-(2-hydroxy-4-nitrophenyl)-3-pyridin-2-ylthiourea
SMILESO=[N+]([O-])c1ccc(NC(=S)Nc2ccccn2)c(O)c1
InChIInChI=1S/C12H10N4O3S/c17-10-7-8(16(18)19)4-5-9(10)14-12(20)15-11-3-1-2-6-13-11/h1-7,17H,(H2,13,14,15,20)
InChIKeyZSKVEDQCIYKFOO-UHFFFAOYSA-N
MW290.30 g/mol
LogP2.50
Rot. Bonds3

About 1-(2-hydroxy-4-nitrophenyl)-3-pyridin-2-ylthiourea

1-(2-hydroxy-4-nitrophenyl)-3-pyridin-2-ylthiourea (PubChem CID 141486906) has the molecular formula C12H10N4O3S and a molecular weight of 290.30 g/mol. Its IUPAC name is 1-(2-hydroxy-4-nitrophenyl)-3-pyridin-2-ylthiourea.

Molecular Properties

Compound Name1-(2-hydroxy-4-nitrophenyl)-3-pyridin-2-ylthiourea
PubChem CID141486906
Molecular FormulaC12H10N4O3S
Molecular Weight290.30 g/mol
Exact Mass290.05
IUPAC Name1-(2-hydroxy-4-nitrophenyl)-3-pyridin-2-ylthiourea
SMILESO=[N+]([O-])c1ccc(NC(=S)Nc2ccccn2)c(O)c1
InChIInChI=1S/C12H10N4O3S/c17-10-7-8(16(18)19)4-5-9(10)14-12(20)15-11-3-1-2-6-13-11/h1-7,17H,(H2,13,14,15,20)
InChIKeyZSKVEDQCIYKFOO-UHFFFAOYSA-N
XLogP2.50
TPSA100.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.30
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(3-nitrophenyl)-N-(pyridin-2-ylcarbamothioyl)prop-2-enamide
CID 885233
5-nitro-1-N,3-N-dipyridin-2-ylbenzene-1,3-dicarboxamide
CID 3383086
1-(4-fluoro-2-hydroxyphenyl)-3-(4-nitrophenyl)thiourea
CID 168953653
N-[(2-hydroxy-4-nitrophenyl)carbamothioyl]-2-naphthalen-1-yloxyacetamide
CID 3390983
(4-nitrophenyl) N-pyridin-2-ylcarbamate
CID 10332773
2,4-dihydroxy-N-(2-hydroxy-4-nitrophenyl)benzenecarbothioamide
CID 135513869
1-(4-fluoro-2-hydroxyphenyl)-3-(2-methoxy-4-nitrophenyl)thiourea
CID 168953674
3-bromo-N-(2-hydroxy-4-nitrophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19462344
N-(2-hydroxy-4-nitrophenyl)cyclooctanecarboxamide
CID 107745413
1-(2-ethylphenyl)-3-(2-hydroxy-4-nitrophenyl)urea
CID 21184795
1-(2-methylsulfanylphenyl)-3-pyridin-2-ylthiourea
CID 5249658
2,3-difluoro-N-(2-hydroxy-4-nitrophenyl)pyridine-4-carboxamide
CID 107743968

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-4-nitrophenyl)-3-pyridin-2-ylthiourea?
The IUPAC name of 1-(2-hydroxy-4-nitrophenyl)-3-pyridin-2-ylthiourea (CID 141486906) is 1-(2-hydroxy-4-nitrophenyl)-3-pyridin-2-ylthiourea.
What is the SMILES notation for 1-(2-hydroxy-4-nitrophenyl)-3-pyridin-2-ylthiourea?
The canonical SMILES for 1-(2-hydroxy-4-nitrophenyl)-3-pyridin-2-ylthiourea is O=[N+]([O-])c1ccc(NC(=S)Nc2ccccn2)c(O)c1.
What is the InChIKey of 1-(2-hydroxy-4-nitrophenyl)-3-pyridin-2-ylthiourea?
The InChIKey is ZSKVEDQCIYKFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O3S/c17-10-7-8(16(18)19)4-5-9(10)14-12(20)15-11-3-1-2-6-13-11/h1-7,17H,(H2,13,14,15,20).
What are the key properties of 1-(2-hydroxy-4-nitrophenyl)-3-pyridin-2-ylthiourea?
1-(2-hydroxy-4-nitrophenyl)-3-pyridin-2-ylthiourea has a molecular weight of 290.30 g/mol, XLogP of 2.50, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-4-nitrophenyl)-3-pyridin-2-ylthiourea is sourced from PubChem (CID 141486906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).