3-chloropyridine;hydrazinecarboxylic acid

C6H8ClN3O2 — CID 174600302

IUPAC3-chloropyridine;hydrazinecarboxylic acid
SMILESClc1cccnc1.NNC(=O)O
InChIInChI=1S/C5H4ClN.CH4N2O2/c6-5-2-1-3-7-4-5;2-3-1(4)5/h1-4H;3H,2H2,(H,4,5)
InChIKeyRCDAWWJXVPQISC-UHFFFAOYSA-N
MW189.60 g/mol
LogP0.86
Rot. Bonds

About 3-chloropyridine;hydrazinecarboxylic acid

3-chloropyridine;hydrazinecarboxylic acid (PubChem CID 174600302) has the molecular formula C6H8ClN3O2 and a molecular weight of 189.60 g/mol. Its IUPAC name is 3-chloropyridine;hydrazinecarboxylic acid.

Molecular Properties

Compound Name3-chloropyridine;hydrazinecarboxylic acid
PubChem CID174600302
Molecular FormulaC6H8ClN3O2
Molecular Weight189.60 g/mol
Exact Mass189.03
IUPAC Name3-chloropyridine;hydrazinecarboxylic acid
SMILESClc1cccnc1.NNC(=O)O
InChIInChI=1S/C5H4ClN.CH4N2O2/c6-5-2-1-3-7-4-5;2-3-1(4)5/h1-4H;3H,2H2,(H,4,5)
InChIKeyRCDAWWJXVPQISC-UHFFFAOYSA-N
XLogP0.86
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.60
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-aminohydroxylamine;3-chloropyridine
CID 175554293
3-chloropyridine;hydroiodide
CID 173140425
3-chloropyridine;3-methylpyridine
CID 174960532
2-amino-2-pyridin-3-ylacetohydrazide
CID 116848522
3-oxo-3-pyridin-3-ylpropanehydrazide
CID 150015439
1,3-diaminourea;3-methoxypyridine
CID 175323453
benzene;pyridine-3-carboxamide
CID 66766032
2-pyridin-3-ylpropanehydrazide
CID 116843938
hydrazinyl pyridine-3-carboxylate
CID 22603598
pyridine-3-carbothioylcarbamic acid
CID 123277639
hydrogen peroxide;pyridin-3-amine
CID 87884226
CID 66868100
CID 66868100

Frequently Asked Questions

What is the IUPAC name of 3-chloropyridine;hydrazinecarboxylic acid?
The IUPAC name of 3-chloropyridine;hydrazinecarboxylic acid (CID 174600302) is 3-chloropyridine;hydrazinecarboxylic acid.
What is the SMILES notation for 3-chloropyridine;hydrazinecarboxylic acid?
The canonical SMILES for 3-chloropyridine;hydrazinecarboxylic acid is Clc1cccnc1.NNC(=O)O.
What is the InChIKey of 3-chloropyridine;hydrazinecarboxylic acid?
The InChIKey is RCDAWWJXVPQISC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClN.CH4N2O2/c6-5-2-1-3-7-4-5;2-3-1(4)5/h1-4H;3H,2H2,(H,4,5).
What are the key properties of 3-chloropyridine;hydrazinecarboxylic acid?
3-chloropyridine;hydrazinecarboxylic acid has a molecular weight of 189.60 g/mol, XLogP of 0.86, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloropyridine;hydrazinecarboxylic acid is sourced from PubChem (CID 174600302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).