2-(4-iodo-2-pyridinyl)pyrimidine-5-carbohydrazide

C10H8IN5O — CID 68821323

IUPAC2-(4-iodo-2-pyridinyl)pyrimidine-5-carbohydrazide
SMILESNNC(=O)c1cnc(-c2cc(I)ccn2)nc1
InChIInChI=1S/C10H8IN5O/c11-7-1-2-13-8(3-7)9-14-4-6(5-15-9)10(17)16-12/h1-5H,12H2,(H,16,17)
InChIKeyDNXNWBHRPGEHSN-UHFFFAOYSA-N
MW341.11 g/mol
LogP0.75
Rot. Bonds2

About 2-(4-iodo-2-pyridinyl)pyrimidine-5-carbohydrazide

2-(4-iodo-2-pyridinyl)pyrimidine-5-carbohydrazide (PubChem CID 68821323) has the molecular formula C10H8IN5O and a molecular weight of 341.11 g/mol. Its IUPAC name is 2-(4-iodo-2-pyridinyl)pyrimidine-5-carbohydrazide.

Molecular Properties

Compound Name2-(4-iodo-2-pyridinyl)pyrimidine-5-carbohydrazide
PubChem CID68821323
Molecular FormulaC10H8IN5O
Molecular Weight341.11 g/mol
Exact Mass340.98
IUPAC Name2-(4-iodo-2-pyridinyl)pyrimidine-5-carbohydrazide
SMILESNNC(=O)c1cnc(-c2cc(I)ccn2)nc1
InChIInChI=1S/C10H8IN5O/c11-7-1-2-13-8(3-7)9-14-4-6(5-15-9)10(17)16-12/h1-5H,12H2,(H,16,17)
InChIKeyDNXNWBHRPGEHSN-UHFFFAOYSA-N
XLogP0.75
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.11
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(4-iodo-2-pyridinyl)pyrimidine-5-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-iodo-2-pyridinyl)pyrimidine-5-carbohydrazide?
The IUPAC name of 2-(4-iodo-2-pyridinyl)pyrimidine-5-carbohydrazide (CID 68821323) is 2-(4-iodo-2-pyridinyl)pyrimidine-5-carbohydrazide.
What is the SMILES notation for 2-(4-iodo-2-pyridinyl)pyrimidine-5-carbohydrazide?
The canonical SMILES for 2-(4-iodo-2-pyridinyl)pyrimidine-5-carbohydrazide is NNC(=O)c1cnc(-c2cc(I)ccn2)nc1.
What is the InChIKey of 2-(4-iodo-2-pyridinyl)pyrimidine-5-carbohydrazide?
The InChIKey is DNXNWBHRPGEHSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8IN5O/c11-7-1-2-13-8(3-7)9-14-4-6(5-15-9)10(17)16-12/h1-5H,12H2,(H,16,17).
What are the key properties of 2-(4-iodo-2-pyridinyl)pyrimidine-5-carbohydrazide?
2-(4-iodo-2-pyridinyl)pyrimidine-5-carbohydrazide has a molecular weight of 341.11 g/mol, XLogP of 0.75, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-iodo-2-pyridinyl)pyrimidine-5-carbohydrazide is sourced from PubChem (CID 68821323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).