(6-methyl-5-nitro-3-pyridinyl)urea

C7H8N4O3 — CID 175936167

IUPAC(6-methyl-5-nitro-3-pyridinyl)urea
SMILESCc1ncc(NC(N)=O)cc1[N+](=O)[O-]
InChIInChI=1S/C7H8N4O3/c1-4-6(11(13)14)2-5(3-9-4)10-7(8)12/h2-3H,1H3,(H3,8,10,12)
InChIKeyVYDLYWYLENHPMA-UHFFFAOYSA-N
MW196.17 g/mol
LogP0.79
Rot. Bonds2

About (6-methyl-5-nitro-3-pyridinyl)urea

(6-methyl-5-nitro-3-pyridinyl)urea (PubChem CID 175936167) has the molecular formula C7H8N4O3 and a molecular weight of 196.17 g/mol. Its IUPAC name is (6-methyl-5-nitro-3-pyridinyl)urea.

Molecular Properties

Compound Name(6-methyl-5-nitro-3-pyridinyl)urea
PubChem CID175936167
Molecular FormulaC7H8N4O3
Molecular Weight196.17 g/mol
Exact Mass196.06
IUPAC Name(6-methyl-5-nitro-3-pyridinyl)urea
SMILESCc1ncc(NC(N)=O)cc1[N+](=O)[O-]
InChIInChI=1S/C7H8N4O3/c1-4-6(11(13)14)2-5(3-9-4)10-7(8)12/h2-3H,1H3,(H3,8,10,12)
InChIKeyVYDLYWYLENHPMA-UHFFFAOYSA-N
XLogP0.79
TPSA111.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.17
LogP ≤ 50.79
H-Bond Donors ≤ 52
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

2,5-dimethyl-3-nitropyridine
CID 12626468
2-methyl-5-(6-methyl-5-nitro-3-pyridinyl)-3-nitropyridine
CID 66524275
2-[1-(cyclopentylmethyl)pyrrolidin-2-yl]-N-(6-methyl-5-nitro-3-pyridinyl)acetamide
CID 170635578
4-(6-methyl-5-nitro-3-pyridinyl)but-3-enoic acid
CID 170483903
3-(3,3-dimethyl-1,2-dihydropyrrol-5-yl)-N-(6-methyl-5-nitro-3-pyridinyl)benzamide
CID 175889009
5-ethynyl-2-methyl-3-nitropyridine
CID 58476611
3-(6-methyl-5-nitro-3-pyridinyl)prop-2-ene-1-thiol
CID 169455515
N-methyl-4-(6-methyl-5-nitro-3-pyridinyl)but-3-en-1-amine
CID 170496101
(4-fluoro-2-nitrophenyl)urea
CID 69476086
(2-methyl-3-nitrophenyl)urea
CID 22416531
N-[3-(carbamoylamino)phenyl]-5-methyl-4-nitrothiophene-2-carboxamide
CID 31814497
5-(4-bromobut-1-enyl)-2-methyl-3-nitropyridine
CID 170497793

Frequently Asked Questions

What is the IUPAC name of (6-methyl-5-nitro-3-pyridinyl)urea?
The IUPAC name of (6-methyl-5-nitro-3-pyridinyl)urea (CID 175936167) is (6-methyl-5-nitro-3-pyridinyl)urea.
What is the SMILES notation for (6-methyl-5-nitro-3-pyridinyl)urea?
The canonical SMILES for (6-methyl-5-nitro-3-pyridinyl)urea is Cc1ncc(NC(N)=O)cc1[N+](=O)[O-].
What is the InChIKey of (6-methyl-5-nitro-3-pyridinyl)urea?
The InChIKey is VYDLYWYLENHPMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O3/c1-4-6(11(13)14)2-5(3-9-4)10-7(8)12/h2-3H,1H3,(H3,8,10,12).
What are the key properties of (6-methyl-5-nitro-3-pyridinyl)urea?
(6-methyl-5-nitro-3-pyridinyl)urea has a molecular weight of 196.17 g/mol, XLogP of 0.79, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-5-nitro-3-pyridinyl)urea is sourced from PubChem (CID 175936167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).