4-aminopyridine-2-carboxylic acid;hydrate

C6H8N2O3 — CID 74892475

IUPAC4-aminopyridine-2-carboxylic acid;hydrate
SMILESNc1ccnc(C(=O)O)c1.O
InChIInChI=1S/C6H6N2O2.H2O/c7-4-1-2-8-5(3-4)6(9)10;/h1-3H,(H2,7,8)(H,9,10);1H2
InChIKeyOWCQNGYNBURFAE-UHFFFAOYSA-N
MW156.14 g/mol
LogP-0.46
Rot. Bonds1

About 4-aminopyridine-2-carboxylic acid;hydrate

4-aminopyridine-2-carboxylic acid;hydrate (PubChem CID 74892475) has the molecular formula C6H8N2O3 and a molecular weight of 156.14 g/mol. Its IUPAC name is 4-aminopyridine-2-carboxylic acid;hydrate.

Molecular Properties

Compound Name4-aminopyridine-2-carboxylic acid;hydrate
PubChem CID74892475
Molecular FormulaC6H8N2O3
Molecular Weight156.14 g/mol
Exact Mass156.05
IUPAC Name4-aminopyridine-2-carboxylic acid;hydrate
SMILESNc1ccnc(C(=O)O)c1.O
InChIInChI=1S/C6H6N2O2.H2O/c7-4-1-2-8-5(3-4)6(9)10;/h1-3H,(H2,7,8)(H,9,10);1H2
InChIKeyOWCQNGYNBURFAE-UHFFFAOYSA-N
XLogP-0.46
TPSA107.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-aminopyridine-2-carboxylic acid;ethane
CID 91192468
hydrazine;pyridine-2,4-dicarboxylic acid
CID 71369189
methyl 4-aminopyridine-2-carboxylate
CID 3759117
4-carbonochloridoylpyridine-2-carboxylic acid
CID 156640763
4-amino-N,N-dimethylpyridine-2-carboxamide;hydrochloride
CID 167725414
ethene;methyl 4-aminopyridine-2-carboxylate
CID 177218086
4-amino-N-methoxypyridine-2-carboxamide
CID 170972703
4-chloropyridine-2-carboxylic acid;dihydrochloride
CID 174449778
4-(aminomethyl)pyridine-2-carboxylic acid;hydrochloride
CID 139035417
4-amino-N-piperidin-1-ylpyridine-2-carboxamide
CID 83024182
4-amino-N-(2-amino-2-oxoethyl)pyridine-2-carboxamide
CID 62156231
7-aminoisoquinoline-3-carboxylic acid
CID 130056021

Frequently Asked Questions

What is the IUPAC name of 4-aminopyridine-2-carboxylic acid;hydrate?
The IUPAC name of 4-aminopyridine-2-carboxylic acid;hydrate (CID 74892475) is 4-aminopyridine-2-carboxylic acid;hydrate.
What is the SMILES notation for 4-aminopyridine-2-carboxylic acid;hydrate?
The canonical SMILES for 4-aminopyridine-2-carboxylic acid;hydrate is Nc1ccnc(C(=O)O)c1.O.
What is the InChIKey of 4-aminopyridine-2-carboxylic acid;hydrate?
The InChIKey is OWCQNGYNBURFAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O2.H2O/c7-4-1-2-8-5(3-4)6(9)10;/h1-3H,(H2,7,8)(H,9,10);1H2.
What are the key properties of 4-aminopyridine-2-carboxylic acid;hydrate?
4-aminopyridine-2-carboxylic acid;hydrate has a molecular weight of 156.14 g/mol, XLogP of -0.46, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminopyridine-2-carboxylic acid;hydrate is sourced from PubChem (CID 74892475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).