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

C8H12Cl2N2O2 — CID 71757623

IUPAC6-(aminomethyl)-2-methylpyridine-3-carboxylic acid;dihydrochloride
SMILESCc1nc(CN)ccc1C(=O)O.Cl.Cl
InChIInChI=1S/C8H10N2O2.2ClH/c1-5-7(8(11)12)3-2-6(4-9)10-5;;/h2-3H,4,9H2,1H3,(H,11,12);2*1H
InChIKeyPMSPFFGTEZKYGU-UHFFFAOYSA-N
MW239.10 g/mol
LogP1.39
Rot. Bonds2

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

6-(aminomethyl)-2-methylpyridine-3-carboxylic acid;dihydrochloride (PubChem CID 71757623) has the molecular formula C8H12Cl2N2O2 and a molecular weight of 239.10 g/mol. Its IUPAC name is 6-(aminomethyl)-2-methylpyridine-3-carboxylic acid;dihydrochloride.

Molecular Properties

Compound Name6-(aminomethyl)-2-methylpyridine-3-carboxylic acid;dihydrochloride
PubChem CID71757623
Molecular FormulaC8H12Cl2N2O2
Molecular Weight239.10 g/mol
Exact Mass238.03
IUPAC Name6-(aminomethyl)-2-methylpyridine-3-carboxylic acid;dihydrochloride
SMILESCc1nc(CN)ccc1C(=O)O.Cl.Cl
InChIInChI=1S/C8H10N2O2.2ClH/c1-5-7(8(11)12)3-2-6(4-9)10-5;;/h2-3H,4,9H2,1H3,(H,11,12);2*1H
InChIKeyPMSPFFGTEZKYGU-UHFFFAOYSA-N
XLogP1.39
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.10
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-2-methylpyridine-3-carboxylic acid;dihydrochloride?
The IUPAC name of 6-(aminomethyl)-2-methylpyridine-3-carboxylic acid;dihydrochloride (CID 71757623) is 6-(aminomethyl)-2-methylpyridine-3-carboxylic acid;dihydrochloride.
What is the SMILES notation for 6-(aminomethyl)-2-methylpyridine-3-carboxylic acid;dihydrochloride?
The canonical SMILES for 6-(aminomethyl)-2-methylpyridine-3-carboxylic acid;dihydrochloride is Cc1nc(CN)ccc1C(=O)O.Cl.Cl.
What is the InChIKey of 6-(aminomethyl)-2-methylpyridine-3-carboxylic acid;dihydrochloride?
The InChIKey is PMSPFFGTEZKYGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2.2ClH/c1-5-7(8(11)12)3-2-6(4-9)10-5;;/h2-3H,4,9H2,1H3,(H,11,12);2*1H.
What are the key properties of 6-(aminomethyl)-2-methylpyridine-3-carboxylic acid;dihydrochloride?
6-(aminomethyl)-2-methylpyridine-3-carboxylic acid;dihydrochloride has a molecular weight of 239.10 g/mol, XLogP of 1.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-2-methylpyridine-3-carboxylic acid;dihydrochloride is sourced from PubChem (CID 71757623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).