6-(aminomethyl)-2-ethylpyridine-3-carboxylic acid;dihydrochloride

C9H14Cl2N2O2 — CID 71758671

IUPAC6-(aminomethyl)-2-ethylpyridine-3-carboxylic acid;dihydrochloride
SMILESCCc1nc(CN)ccc1C(=O)O.Cl.Cl
InChIInChI=1S/C9H12N2O2.2ClH/c1-2-8-7(9(12)13)4-3-6(5-10)11-8;;/h3-4H,2,5,10H2,1H3,(H,12,13);2*1H
InChIKeyCATRHQYTGARAEA-UHFFFAOYSA-N
MW253.13 g/mol
LogP1.64
Rot. Bonds3

About 6-(aminomethyl)-2-ethylpyridine-3-carboxylic acid;dihydrochloride

6-(aminomethyl)-2-ethylpyridine-3-carboxylic acid;dihydrochloride (PubChem CID 71758671) has the molecular formula C9H14Cl2N2O2 and a molecular weight of 253.13 g/mol. Its IUPAC name is 6-(aminomethyl)-2-ethylpyridine-3-carboxylic acid;dihydrochloride.

Molecular Properties

Compound Name6-(aminomethyl)-2-ethylpyridine-3-carboxylic acid;dihydrochloride
PubChem CID71758671
Molecular FormulaC9H14Cl2N2O2
Molecular Weight253.13 g/mol
Exact Mass252.04
IUPAC Name6-(aminomethyl)-2-ethylpyridine-3-carboxylic acid;dihydrochloride
SMILESCCc1nc(CN)ccc1C(=O)O.Cl.Cl
InChIInChI=1S/C9H12N2O2.2ClH/c1-2-8-7(9(12)13)4-3-6(5-10)11-8;;/h3-4H,2,5,10H2,1H3,(H,12,13);2*1H
InChIKeyCATRHQYTGARAEA-UHFFFAOYSA-N
XLogP1.64
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.13
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-2-ethylpyridine-3-carboxylic acid;dihydrochloride?
The IUPAC name of 6-(aminomethyl)-2-ethylpyridine-3-carboxylic acid;dihydrochloride (CID 71758671) is 6-(aminomethyl)-2-ethylpyridine-3-carboxylic acid;dihydrochloride.
What is the SMILES notation for 6-(aminomethyl)-2-ethylpyridine-3-carboxylic acid;dihydrochloride?
The canonical SMILES for 6-(aminomethyl)-2-ethylpyridine-3-carboxylic acid;dihydrochloride is CCc1nc(CN)ccc1C(=O)O.Cl.Cl.
What is the InChIKey of 6-(aminomethyl)-2-ethylpyridine-3-carboxylic acid;dihydrochloride?
The InChIKey is CATRHQYTGARAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2.2ClH/c1-2-8-7(9(12)13)4-3-6(5-10)11-8;;/h3-4H,2,5,10H2,1H3,(H,12,13);2*1H.
What are the key properties of 6-(aminomethyl)-2-ethylpyridine-3-carboxylic acid;dihydrochloride?
6-(aminomethyl)-2-ethylpyridine-3-carboxylic acid;dihydrochloride has a molecular weight of 253.13 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-2-ethylpyridine-3-carboxylic acid;dihydrochloride is sourced from PubChem (CID 71758671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).