5-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]pyridine-2-carboxylic acid

C10H11N3O2 — CID 143834642

IUPAC5-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]pyridine-2-carboxylic acid
SMILESC/N=C/C(=C\N)c1ccc(C(=O)O)nc1
InChIInChI=1S/C10H11N3O2/c1-12-5-8(4-11)7-2-3-9(10(14)15)13-6-7/h2-6H,11H2,1H3,(H,14,15)/b8-4+,12-5+
InChIKeyDGGINDVVQQSUPW-FWSLBAKWSA-N
MW205.22 g/mol
LogP0.78
Rot. Bonds3

About 5-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]pyridine-2-carboxylic acid

5-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]pyridine-2-carboxylic acid (PubChem CID 143834642) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is 5-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]pyridine-2-carboxylic acid
PubChem CID143834642
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name5-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]pyridine-2-carboxylic acid
SMILESC/N=C/C(=C\N)c1ccc(C(=O)O)nc1
InChIInChI=1S/C10H11N3O2/c1-12-5-8(4-11)7-2-3-9(10(14)15)13-6-7/h2-6H,11H2,1H3,(H,14,15)/b8-4+,12-5+
InChIKeyDGGINDVVQQSUPW-FWSLBAKWSA-N
XLogP0.78
TPSA88.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2-amino-2-[5-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-2-pyridinyl]ethenol
CID 170633763
(3Z)-3-[5-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-2-pyridinyl]-3-hydrazinylideneprop-1-en-1-one
CID 176524176
pyridine-2,5-dicarboxylic acid
CID 158970171
3-methylimino-2-[4-methyl-3-[(Z)-2-(methylamino)ethenyl]phenyl]prop-1-en-1-amine
CID 174041792
3-methylimino-2-(3-methylpyrazolo[1,5-a]pyridin-6-yl)prop-1-en-1-amine
CID 174021301
5-benzoylpyridine-2-carboxylic acid
CID 165358123
6-acetylpyridine-3-carboxylic acid
CID 22323784
5-(3-aminoprop-2-enyl)pyridine-2-carboxylic acid
CID 175399204
5-[2-(4-methylpiperazin-1-yl)acetyl]pyridine-2-carboxylic acid
CID 170861345
(Z)-3-methylimino-2-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)prop-1-en-1-amine
CID 178171862
5-(4-hydroxypiperidine-1-carbonyl)pyridine-2-carboxylic acid
CID 43414812
5-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]pyridine-2-carboxylic acid
CID 10269289

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]pyridine-2-carboxylic acid (CID 143834642) is 5-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]pyridine-2-carboxylic acid is C/N=C/C(=C\N)c1ccc(C(=O)O)nc1.
What is the InChIKey of 5-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]pyridine-2-carboxylic acid?
The InChIKey is DGGINDVVQQSUPW-FWSLBAKWSA-N. The full InChI is InChI=1S/C10H11N3O2/c1-12-5-8(4-11)7-2-3-9(10(14)15)13-6-7/h2-6H,11H2,1H3,(H,14,15)/b8-4+,12-5+.
What are the key properties of 5-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]pyridine-2-carboxylic acid?
5-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]pyridine-2-carboxylic acid has a molecular weight of 205.22 g/mol, XLogP of 0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 143834642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).