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

C9H14Cl2N2O2 — CID 170910280

IUPACmethyl 4-(2-aminoethyl)pyridine-2-carboxylate;dihydrochloride
SMILESCOC(=O)c1cc(CCN)ccn1.Cl.Cl
InChIInChI=1S/C9H12N2O2.2ClH/c1-13-9(12)8-6-7(2-4-10)3-5-11-8;;/h3,5-6H,2,4,10H2,1H3;2*1H
InChIKeyHJTZDQOIJPHSGJ-UHFFFAOYSA-N
MW253.13 g/mol
LogP1.21
Rot. Bonds3

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

methyl 4-(2-aminoethyl)pyridine-2-carboxylate;dihydrochloride (PubChem CID 170910280) has the molecular formula C9H14Cl2N2O2 and a molecular weight of 253.13 g/mol. Its IUPAC name is methyl 4-(2-aminoethyl)pyridine-2-carboxylate;dihydrochloride.

Molecular Properties

Compound Namemethyl 4-(2-aminoethyl)pyridine-2-carboxylate;dihydrochloride
PubChem CID170910280
Molecular FormulaC9H14Cl2N2O2
Molecular Weight253.13 g/mol
Exact Mass252.04
IUPAC Namemethyl 4-(2-aminoethyl)pyridine-2-carboxylate;dihydrochloride
SMILESCOC(=O)c1cc(CCN)ccn1.Cl.Cl
InChIInChI=1S/C9H12N2O2.2ClH/c1-13-9(12)8-6-7(2-4-10)3-5-11-8;;/h3,5-6H,2,4,10H2,1H3;2*1H
InChIKeyHJTZDQOIJPHSGJ-UHFFFAOYSA-N
XLogP1.21
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.13
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Fusaric Acid
CID 3442
Dipropyl isocinchomeronate
CID 8693
Diethyl 2,4-pyridinedicarboxylate
CID 170509
Ethyl 2-pyridinecarboxylate
CID 17307
2-Carbomethoxypyridine
CID 75569
2,3-Pyridinedicarboxylic acid, 5-methyl-, 2,3-dimethyl ester
CID 11745869
Methyl 3-isoquinolinecarboxylate
CID 725374
Dimethyl 2,5-pyridine dicarboxylate
CID 234911
2,3-Dimethyl 2,3-pyridinedicarboxylate
CID 69058
3-Methylpicolinic acid
CID 268757
Diethyl 2,5-pyridinedicarboxylate
CID 254728
5-Methylpicolinic acid
CID 199575

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-aminoethyl)pyridine-2-carboxylate;dihydrochloride?
The IUPAC name of methyl 4-(2-aminoethyl)pyridine-2-carboxylate;dihydrochloride (CID 170910280) is methyl 4-(2-aminoethyl)pyridine-2-carboxylate;dihydrochloride.
What is the SMILES notation for methyl 4-(2-aminoethyl)pyridine-2-carboxylate;dihydrochloride?
The canonical SMILES for methyl 4-(2-aminoethyl)pyridine-2-carboxylate;dihydrochloride is COC(=O)c1cc(CCN)ccn1.Cl.Cl.
What is the InChIKey of methyl 4-(2-aminoethyl)pyridine-2-carboxylate;dihydrochloride?
The InChIKey is HJTZDQOIJPHSGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2.2ClH/c1-13-9(12)8-6-7(2-4-10)3-5-11-8;;/h3,5-6H,2,4,10H2,1H3;2*1H.
What are the key properties of methyl 4-(2-aminoethyl)pyridine-2-carboxylate;dihydrochloride?
methyl 4-(2-aminoethyl)pyridine-2-carboxylate;dihydrochloride has a molecular weight of 253.13 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-aminoethyl)pyridine-2-carboxylate;dihydrochloride is sourced from PubChem (CID 170910280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).