methyl 4-(aminomethyl)pyridine-2-carboxylate;dihydrochloride

C8H12Cl2N2O2 — CID 134690745

IUPACmethyl 4-(aminomethyl)pyridine-2-carboxylate;dihydrochloride
SMILESCOC(=O)c1cc(CN)ccn1.Cl.Cl
InChIInChI=1S/C8H10N2O2.2ClH/c1-12-8(11)7-4-6(5-9)2-3-10-7;;/h2-4H,5,9H2,1H3;2*1H
InChIKeyYRZWDEKJYNLZBH-UHFFFAOYSA-N
MW239.10 g/mol
LogP1.17
Rot. Bonds2

About methyl 4-(aminomethyl)pyridine-2-carboxylate;dihydrochloride

methyl 4-(aminomethyl)pyridine-2-carboxylate;dihydrochloride (PubChem CID 134690745) has the molecular formula C8H12Cl2N2O2 and a molecular weight of 239.10 g/mol. Its IUPAC name is methyl 4-(aminomethyl)pyridine-2-carboxylate;dihydrochloride.

Molecular Properties

Compound Namemethyl 4-(aminomethyl)pyridine-2-carboxylate;dihydrochloride
PubChem CID134690745
Molecular FormulaC8H12Cl2N2O2
Molecular Weight239.10 g/mol
Exact Mass238.03
IUPAC Namemethyl 4-(aminomethyl)pyridine-2-carboxylate;dihydrochloride
SMILESCOC(=O)c1cc(CN)ccn1.Cl.Cl
InChIInChI=1S/C8H10N2O2.2ClH/c1-12-8(11)7-4-6(5-9)2-3-10-7;;/h2-4H,5,9H2,1H3;2*1H
InChIKeyYRZWDEKJYNLZBH-UHFFFAOYSA-N
XLogP1.17
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.10
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(aminomethyl)pyridine-2-carboxylate;dihydrochloride?
The IUPAC name of methyl 4-(aminomethyl)pyridine-2-carboxylate;dihydrochloride (CID 134690745) is methyl 4-(aminomethyl)pyridine-2-carboxylate;dihydrochloride.
What is the SMILES notation for methyl 4-(aminomethyl)pyridine-2-carboxylate;dihydrochloride?
The canonical SMILES for methyl 4-(aminomethyl)pyridine-2-carboxylate;dihydrochloride is COC(=O)c1cc(CN)ccn1.Cl.Cl.
What is the InChIKey of methyl 4-(aminomethyl)pyridine-2-carboxylate;dihydrochloride?
The InChIKey is YRZWDEKJYNLZBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2.2ClH/c1-12-8(11)7-4-6(5-9)2-3-10-7;;/h2-4H,5,9H2,1H3;2*1H.
What are the key properties of methyl 4-(aminomethyl)pyridine-2-carboxylate;dihydrochloride?
methyl 4-(aminomethyl)pyridine-2-carboxylate;dihydrochloride has a molecular weight of 239.10 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(aminomethyl)pyridine-2-carboxylate;dihydrochloride is sourced from PubChem (CID 134690745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).