2-(pyridin-3-ylmethylideneamino)acetic acid

C8H8N2O2 — CID 45082526

IUPAC2-(pyridin-3-ylmethylideneamino)acetic acid
SMILESO=C(O)C/N=C/c1cccnc1
InChIInChI=1S/C8H8N2O2/c11-8(12)6-10-5-7-2-1-3-9-4-7/h1-5H,6H2,(H,11,12)/b10-5+
InChIKeyKRHBMKQNOPOVCS-BJMVGYQFSA-N
MW164.16 g/mol
LogP0.59
Rot. Bonds3

About 2-(pyridin-3-ylmethylideneamino)acetic acid

2-(pyridin-3-ylmethylideneamino)acetic acid (PubChem CID 45082526) has the molecular formula C8H8N2O2 and a molecular weight of 164.16 g/mol. Its IUPAC name is 2-(pyridin-3-ylmethylideneamino)acetic acid.

Molecular Properties

Compound Name2-(pyridin-3-ylmethylideneamino)acetic acid
PubChem CID45082526
Molecular FormulaC8H8N2O2
Molecular Weight164.16 g/mol
Exact Mass164.06
IUPAC Name2-(pyridin-3-ylmethylideneamino)acetic acid
SMILESO=C(O)C/N=C/c1cccnc1
InChIInChI=1S/C8H8N2O2/c11-8(12)6-10-5-7-2-1-3-9-4-7/h1-5H,6H2,(H,11,12)/b10-5+
InChIKeyKRHBMKQNOPOVCS-BJMVGYQFSA-N
XLogP0.59
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(2-methylprop-2-enyl)-1-pyridin-3-ylmethanimine
CID 142604700
1-(4-methylphenyl)-2-(pyridin-3-ylmethylideneamino)ethanone
CID 160987415
4-pyridin-3-ylbut-3-enoic acid
CID 439
2-(pyridin-3-ylmethylideneamino)-N,N-bis[2-(pyridin-3-ylmethylideneamino)ethyl]ethanamine
CID 69234303
N,N'-bis(pyridin-3-ylmethylideneamino)pentanediamide
CID 4208581
tert-butyl (NE)-N-(pyridin-3-ylmethylidene)carbamate
CID 11481157
(E)-7-pyridin-3-ylhept-6-enoic acid
CID 13417279
N-phenyl-N-(pyridin-3-ylmethylideneamino)aniline
CID 4985790
3-[(E)-2-pyridin-3-ylethenyl]pyridine;zinc
CID 175746701
(E)-1-phenyl-3-pyridin-3-ylprop-2-en-1-one
CID 5354062
(E)-4-pyridin-3-ylbut-3-enamide
CID 141387555
ethyl N-[(Z)-pyridin-3-ylmethylideneamino]carbamate
CID 5407780

Frequently Asked Questions

What is the IUPAC name of 2-(pyridin-3-ylmethylideneamino)acetic acid?
The IUPAC name of 2-(pyridin-3-ylmethylideneamino)acetic acid (CID 45082526) is 2-(pyridin-3-ylmethylideneamino)acetic acid.
What is the SMILES notation for 2-(pyridin-3-ylmethylideneamino)acetic acid?
The canonical SMILES for 2-(pyridin-3-ylmethylideneamino)acetic acid is O=C(O)C/N=C/c1cccnc1.
What is the InChIKey of 2-(pyridin-3-ylmethylideneamino)acetic acid?
The InChIKey is KRHBMKQNOPOVCS-BJMVGYQFSA-N. The full InChI is InChI=1S/C8H8N2O2/c11-8(12)6-10-5-7-2-1-3-9-4-7/h1-5H,6H2,(H,11,12)/b10-5+.
What are the key properties of 2-(pyridin-3-ylmethylideneamino)acetic acid?
2-(pyridin-3-ylmethylideneamino)acetic acid has a molecular weight of 164.16 g/mol, XLogP of 0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridin-3-ylmethylideneamino)acetic acid is sourced from PubChem (CID 45082526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).