4-(1-methylimidazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid

C10H13N3O2 — CID 68569856

IUPAC4-(1-methylimidazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
SMILESCn1ccnc1C1=CCN(C(=O)O)CC1
InChIInChI=1S/C10H13N3O2/c1-12-7-4-11-9(12)8-2-5-13(6-3-8)10(14)15/h2,4,7H,3,5-6H2,1H3,(H,14,15)
InChIKeyPXSFRFJWGSZFHL-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.19
Rot. Bonds1

About 4-(1-methylimidazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid

4-(1-methylimidazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid (PubChem CID 68569856) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 4-(1-methylimidazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid.

Molecular Properties

Compound Name4-(1-methylimidazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
PubChem CID68569856
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name4-(1-methylimidazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
SMILESCn1ccnc1C1=CCN(C(=O)O)CC1
InChIInChI=1S/C10H13N3O2/c1-12-7-4-11-9(12)8-2-5-13(6-3-8)10(14)15/h2,4,7H,3,5-6H2,1H3,(H,14,15)
InChIKeyPXSFRFJWGSZFHL-UHFFFAOYSA-N
XLogP1.19
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methylimidazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The IUPAC name of 4-(1-methylimidazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid (CID 68569856) is 4-(1-methylimidazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid.
What is the SMILES notation for 4-(1-methylimidazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The canonical SMILES for 4-(1-methylimidazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid is Cn1ccnc1C1=CCN(C(=O)O)CC1.
What is the InChIKey of 4-(1-methylimidazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The InChIKey is PXSFRFJWGSZFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-12-7-4-11-9(12)8-2-5-13(6-3-8)10(14)15/h2,4,7H,3,5-6H2,1H3,(H,14,15).
What are the key properties of 4-(1-methylimidazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid?
4-(1-methylimidazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid has a molecular weight of 207.23 g/mol, XLogP of 1.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylimidazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid is sourced from PubChem (CID 68569856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).