5-(aminomethyl)pyridine-3-carboxylic acid;dihydrochloride

C7H10Cl2N2O2 — CID 139034068

IUPAC5-(aminomethyl)pyridine-3-carboxylic acid;dihydrochloride
SMILESCl.Cl.NCc1cncc(C(=O)O)c1
InChIInChI=1S/C7H8N2O2.2ClH/c8-2-5-1-6(7(10)11)4-9-3-5;;/h1,3-4H,2,8H2,(H,10,11);2*1H
InChIKeyKTCJTIRHTJTZBP-UHFFFAOYSA-N
MW225.07 g/mol
LogP1.08
Rot. Bonds2

About 5-(aminomethyl)pyridine-3-carboxylic acid;dihydrochloride

5-(aminomethyl)pyridine-3-carboxylic acid;dihydrochloride (PubChem CID 139034068) has the molecular formula C7H10Cl2N2O2 and a molecular weight of 225.07 g/mol. Its IUPAC name is 5-(aminomethyl)pyridine-3-carboxylic acid;dihydrochloride.

Molecular Properties

Compound Name5-(aminomethyl)pyridine-3-carboxylic acid;dihydrochloride
PubChem CID139034068
Molecular FormulaC7H10Cl2N2O2
Molecular Weight225.07 g/mol
Exact Mass224.01
IUPAC Name5-(aminomethyl)pyridine-3-carboxylic acid;dihydrochloride
SMILESCl.Cl.NCc1cncc(C(=O)O)c1
InChIInChI=1S/C7H8N2O2.2ClH/c8-2-5-1-6(7(10)11)4-9-3-5;;/h1,3-4H,2,8H2,(H,10,11);2*1H
InChIKeyKTCJTIRHTJTZBP-UHFFFAOYSA-N
XLogP1.08
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.07
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

pyridine-3,5-dicarboxylic acid;hydrochloride
CID 66910809
ethyl 5-(aminomethyl)pyridine-3-carboxylate;dihydrochloride
CID 140963506
5-(2-bromoethyl)pyridine-3-carboxylic acid
CID 174535680
5-(methylsulfanylmethyl)pyridine-3-carboxylic acid
CID 117212726
pyridine-3,5-dicarboxylic acid;dihydrobromide
CID 139466512
5-(aminomethyl)-N-cyclopropylpyridine-3-carboxamide
CID 84663349
5-fluoropyridine-3-carboxylic acid;(5-fluoro-3-pyridinyl)methanol
CID 21128394
5-hydroxypyridine-3-carboxylic acid;hydrate
CID 139205503
(5-fluoro-3-pyridinyl)methanamine;hydrochloride
CID 84819354
(5-fluoro-3-pyridinyl)methanamine;dihydrochloride
CID 119081474
2-amino-1-(5-ethyl-3-pyridinyl)ethanone
CID 84651885
5-[(4-fluorophenoxy)methyl]pyridine-3-carboxylic acid
CID 117212713

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)pyridine-3-carboxylic acid;dihydrochloride?
The IUPAC name of 5-(aminomethyl)pyridine-3-carboxylic acid;dihydrochloride (CID 139034068) is 5-(aminomethyl)pyridine-3-carboxylic acid;dihydrochloride.
What is the SMILES notation for 5-(aminomethyl)pyridine-3-carboxylic acid;dihydrochloride?
The canonical SMILES for 5-(aminomethyl)pyridine-3-carboxylic acid;dihydrochloride is Cl.Cl.NCc1cncc(C(=O)O)c1.
What is the InChIKey of 5-(aminomethyl)pyridine-3-carboxylic acid;dihydrochloride?
The InChIKey is KTCJTIRHTJTZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2.2ClH/c8-2-5-1-6(7(10)11)4-9-3-5;;/h1,3-4H,2,8H2,(H,10,11);2*1H.
What are the key properties of 5-(aminomethyl)pyridine-3-carboxylic acid;dihydrochloride?
5-(aminomethyl)pyridine-3-carboxylic acid;dihydrochloride has a molecular weight of 225.07 g/mol, XLogP of 1.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)pyridine-3-carboxylic acid;dihydrochloride is sourced from PubChem (CID 139034068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).