(5-nitropyrimidin-4-yl)methanol

C5H5N3O3 — CID 130116133

IUPAC(5-nitropyrimidin-4-yl)methanol
SMILESO=[N+]([O-])c1cncnc1CO
InChIInChI=1S/C5H5N3O3/c9-2-4-5(8(10)11)1-6-3-7-4/h1,3,9H,2H2
InChIKeyWNOFFJMFDMRFKL-UHFFFAOYSA-N
MW155.11 g/mol
LogP-0.12
Rot. Bonds2

About (5-nitropyrimidin-4-yl)methanol

(5-nitropyrimidin-4-yl)methanol (PubChem CID 130116133) has the molecular formula C5H5N3O3 and a molecular weight of 155.11 g/mol. Its IUPAC name is (5-nitropyrimidin-4-yl)methanol.

Molecular Properties

Compound Name(5-nitropyrimidin-4-yl)methanol
PubChem CID130116133
Molecular FormulaC5H5N3O3
Molecular Weight155.11 g/mol
Exact Mass155.03
IUPAC Name(5-nitropyrimidin-4-yl)methanol
SMILESO=[N+]([O-])c1cncnc1CO
InChIInChI=1S/C5H5N3O3/c9-2-4-5(8(10)11)1-6-3-7-4/h1,3,9H,2H2
InChIKeyWNOFFJMFDMRFKL-UHFFFAOYSA-N
XLogP-0.12
TPSA89.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.11
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

(4-bromo-5-nitro-3-pyridinyl)methanol
CID 131191096
[3-(difluoromethyl)-4-methyl-5-nitro-2-pyridinyl]methanol
CID 130088275
2-chloro-3-nitropyrazine;4-chloro-5-nitropyrimidine
CID 158230025
7-(2-methoxyethoxy)-6-nitroquinazoline
CID 86758317
2-[(3-bromo-5-nitro-4-pyridinyl)sulfanyl]ethanol
CID 103519510
4-[(3-methyl-4-nitrophenoxy)methyl]pyrimidine-5-carboxylic acid
CID 102973511
(2-nitrophenyl)methanol
CID 11923
N-chloro-N-(3-methylbutyl)-5-nitropyrimidin-4-amine
CID 162515769
[5-(hydroxymethyl)-2,4-dinitrophenyl]methanol
CID 3316930
5-chloro-6-nitroquinazoline
CID 119085116
[5-(difluoromethyl)-4-nitro-2-pyridinyl]methanol
CID 130097958
4-[(3-nitro-4-pyridinyl)amino]butan-1-ol
CID 19864513

Frequently Asked Questions

What is the IUPAC name of (5-nitropyrimidin-4-yl)methanol?
The IUPAC name of (5-nitropyrimidin-4-yl)methanol (CID 130116133) is (5-nitropyrimidin-4-yl)methanol.
What is the SMILES notation for (5-nitropyrimidin-4-yl)methanol?
The canonical SMILES for (5-nitropyrimidin-4-yl)methanol is O=[N+]([O-])c1cncnc1CO.
What is the InChIKey of (5-nitropyrimidin-4-yl)methanol?
The InChIKey is WNOFFJMFDMRFKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N3O3/c9-2-4-5(8(10)11)1-6-3-7-4/h1,3,9H,2H2.
What are the key properties of (5-nitropyrimidin-4-yl)methanol?
(5-nitropyrimidin-4-yl)methanol has a molecular weight of 155.11 g/mol, XLogP of -0.12, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-nitropyrimidin-4-yl)methanol is sourced from PubChem (CID 130116133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).