oxalic acid;1-pyridin-2-ylethanamine

C9H12N2O4 — CID 45156268

IUPACoxalic acid;1-pyridin-2-ylethanamine
SMILESCC(N)c1ccccn1.O=C(O)C(=O)O
InChIInChI=1S/C7H10N2.C2H2O4/c1-6(8)7-4-2-3-5-9-7;3-1(4)2(5)6/h2-6H,8H2,1H3;(H,3,4)(H,5,6)
InChIKeyJLXOHIUBCQVGGB-UHFFFAOYSA-N
MW212.21 g/mol
LogP0.26
Rot. Bonds1

About oxalic acid;1-pyridin-2-ylethanamine

oxalic acid;1-pyridin-2-ylethanamine (PubChem CID 45156268) has the molecular formula C9H12N2O4 and a molecular weight of 212.21 g/mol. Its IUPAC name is oxalic acid;1-pyridin-2-ylethanamine.

Molecular Properties

Compound Nameoxalic acid;1-pyridin-2-ylethanamine
PubChem CID45156268
Molecular FormulaC9H12N2O4
Molecular Weight212.21 g/mol
Exact Mass212.08
IUPAC Nameoxalic acid;1-pyridin-2-ylethanamine
SMILESCC(N)c1ccccn1.O=C(O)C(=O)O
InChIInChI=1S/C7H10N2.C2H2O4/c1-6(8)7-4-2-3-5-9-7;3-1(4)2(5)6/h2-6H,8H2,1H3;(H,3,4)(H,5,6)
InChIKeyJLXOHIUBCQVGGB-UHFFFAOYSA-N
XLogP0.26
TPSA113.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

pyridine;1-pyridin-2-ylethanamine
CID 159737903
N-methylmethanamine;1-pyridin-2-ylethanamine
CID 143812006
2,4-dipyridin-2-ylpentan-3-one
CID 141048798
(2R)-2-pyridin-2-ylpropanoate
CID 86306983
lithium 2-pyridin-2-ylpropanoate
CID 175058549
methyl (2R)-2-amino-2-pyridin-2-ylacetate
CID 86316521
(3R)-3-pyridin-2-ylbutan-2-amine
CID 140704268
(1R,2S)-1-pyridin-2-ylpropane-1,2-diamine
CID 131142947
(2S)-2-amino-2-phenyl-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 93096974
2-amino-2-phenyl-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 81407191
(3S)-3-pyridin-2-ylbutanoic acid;sulfane
CID 167654157
(2R)-2-amino-N-methyl-N-[(1S)-1-pyridin-2-ylethyl]propanamide
CID 124590926

Frequently Asked Questions

What is the IUPAC name of oxalic acid;1-pyridin-2-ylethanamine?
The IUPAC name of oxalic acid;1-pyridin-2-ylethanamine (CID 45156268) is oxalic acid;1-pyridin-2-ylethanamine.
What is the SMILES notation for oxalic acid;1-pyridin-2-ylethanamine?
The canonical SMILES for oxalic acid;1-pyridin-2-ylethanamine is CC(N)c1ccccn1.O=C(O)C(=O)O.
What is the InChIKey of oxalic acid;1-pyridin-2-ylethanamine?
The InChIKey is JLXOHIUBCQVGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2.C2H2O4/c1-6(8)7-4-2-3-5-9-7;3-1(4)2(5)6/h2-6H,8H2,1H3;(H,3,4)(H,5,6).
What are the key properties of oxalic acid;1-pyridin-2-ylethanamine?
oxalic acid;1-pyridin-2-ylethanamine has a molecular weight of 212.21 g/mol, XLogP of 0.26, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxalic acid;1-pyridin-2-ylethanamine is sourced from PubChem (CID 45156268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).