formic acid;5-iodo-1H-pyrazole

C4H5IN2O2 — CID 175333383

IUPACformic acid;5-iodo-1H-pyrazole
SMILESIc1ccn[nH]1.O=CO
InChIInChI=1S/C3H3IN2.CH2O2/c4-3-1-2-5-6-3;2-1-3/h1-2H,(H,5,6);1H,(H,2,3)
InChIKeyOWQZWPQEPADAGO-UHFFFAOYSA-N
MW240.00 g/mol
LogP0.72
Rot. Bonds

About formic acid;5-iodo-1H-pyrazole

formic acid;5-iodo-1H-pyrazole (PubChem CID 175333383) has the molecular formula C4H5IN2O2 and a molecular weight of 240.00 g/mol. Its IUPAC name is formic acid;5-iodo-1H-pyrazole.

Molecular Properties

Compound Nameformic acid;5-iodo-1H-pyrazole
PubChem CID175333383
Molecular FormulaC4H5IN2O2
Molecular Weight240.00 g/mol
Exact Mass239.94
IUPAC Nameformic acid;5-iodo-1H-pyrazole
SMILESIc1ccn[nH]1.O=CO
InChIInChI=1S/C3H3IN2.CH2O2/c4-3-1-2-5-6-3;2-1-3/h1-2H,(H,5,6);1H,(H,2,3)
InChIKeyOWQZWPQEPADAGO-UHFFFAOYSA-N
XLogP0.72
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.00
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-hydroxy-N-(1H-pyrazol-5-yl)formamide
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CID 150638923
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ethane;N-(1H-pyrazol-5-yl)formamide
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CID 57473458
CID 57473458
1H-pyrazole-5-carboxylic acid;zinc
CID 158581218
N-(1H-pyrazol-5-ylmethylidene)hydroxylamine
CID 2782173
3-(1H-pyrazole-5-carbonyl)benzaldehyde
CID 142051838
copper(1+);1H-pyrazole-5-carboxylate
CID 70037114
5-methyl-1H-pyrazole;sulfuric acid
CID 86138187
1H-pyrazole-5-carboxamide;hydrate
CID 172743817
2,3-bis(1H-pyrazol-5-yloxy)butanedioic acid
CID 174804898

Frequently Asked Questions

What is the IUPAC name of formic acid;5-iodo-1H-pyrazole?
The IUPAC name of formic acid;5-iodo-1H-pyrazole (CID 175333383) is formic acid;5-iodo-1H-pyrazole.
What is the SMILES notation for formic acid;5-iodo-1H-pyrazole?
The canonical SMILES for formic acid;5-iodo-1H-pyrazole is Ic1ccn[nH]1.O=CO.
What is the InChIKey of formic acid;5-iodo-1H-pyrazole?
The InChIKey is OWQZWPQEPADAGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3IN2.CH2O2/c4-3-1-2-5-6-3;2-1-3/h1-2H,(H,5,6);1H,(H,2,3).
What are the key properties of formic acid;5-iodo-1H-pyrazole?
formic acid;5-iodo-1H-pyrazole has a molecular weight of 240.00 g/mol, XLogP of 0.72, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;5-iodo-1H-pyrazole is sourced from PubChem (CID 175333383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).