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

C7H10Cl2N2O2 — CID 71741681

IUPAC6-(aminomethyl)pyridine-3-carboxylic acid;dihydrochloride
SMILESCl.Cl.NCc1ccc(C(=O)O)cn1
InChIInChI=1S/C7H8N2O2.2ClH/c8-3-6-2-1-5(4-9-6)7(10)11;;/h1-2,4H,3,8H2,(H,10,11);2*1H
InChIKeyDQIQOSCYUZOZSO-UHFFFAOYSA-N
MW225.07 g/mol
LogP1.08
Rot. Bonds2

About 6-(aminomethyl)pyridine-3-carboxylic acid;dihydrochloride

6-(aminomethyl)pyridine-3-carboxylic acid;dihydrochloride (PubChem CID 71741681) has the molecular formula C7H10Cl2N2O2 and a molecular weight of 225.07 g/mol. Its IUPAC name is 6-(aminomethyl)pyridine-3-carboxylic acid;dihydrochloride.

Molecular Properties

Compound Name6-(aminomethyl)pyridine-3-carboxylic acid;dihydrochloride
PubChem CID71741681
Molecular FormulaC7H10Cl2N2O2
Molecular Weight225.07 g/mol
Exact Mass224.01
IUPAC Name6-(aminomethyl)pyridine-3-carboxylic acid;dihydrochloride
SMILESCl.Cl.NCc1ccc(C(=O)O)cn1
InChIInChI=1S/C7H8N2O2.2ClH/c8-3-6-2-1-5(4-9-6)7(10)11;;/h1-2,4H,3,8H2,(H,10,11);2*1H
InChIKeyDQIQOSCYUZOZSO-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

6-(hydroxysulfanylmethyl)pyridine-3-carboxylic acid
CID 174194628
ethyl 6-(aminomethyl)pyridine-3-carboxylate;hydrochloride
CID 57360953
6-(2-phenylethyl)pyridine-3-carboxylic acid
CID 150942335
6-(2-hydroxypropyl)pyridine-3-carboxylic acid
CID 68757151
6-aminopyridine-3-carboxylic acid;ethane
CID 142242146
6-(methoxymethyl)pyridine-3-carboxylic acid;sulfur monoxide
CID 158651359
tert-butyl 6-(aminomethyl)pyridine-3-carboxylate;2,2,2-trifluoroacetic acid
CID 139026838
6-benzylpyridine-3-carboxylic acid;1-(6-benzyl-3-pyridinyl)ethanone
CID 161401140
pyridine-2,5-dicarboxylic acid
CID 158970171
[6-(aminomethyl)-3-pyridinyl]carbamic acid
CID 118212846
benzoic acid;pyridin-2-ylmethanamine
CID 174853038
6-hydrazinylpyridine-3-carboxylic acid
CID 3782617

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)pyridine-3-carboxylic acid;dihydrochloride?
The IUPAC name of 6-(aminomethyl)pyridine-3-carboxylic acid;dihydrochloride (CID 71741681) is 6-(aminomethyl)pyridine-3-carboxylic acid;dihydrochloride.
What is the SMILES notation for 6-(aminomethyl)pyridine-3-carboxylic acid;dihydrochloride?
The canonical SMILES for 6-(aminomethyl)pyridine-3-carboxylic acid;dihydrochloride is Cl.Cl.NCc1ccc(C(=O)O)cn1.
What is the InChIKey of 6-(aminomethyl)pyridine-3-carboxylic acid;dihydrochloride?
The InChIKey is DQIQOSCYUZOZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2.2ClH/c8-3-6-2-1-5(4-9-6)7(10)11;;/h1-2,4H,3,8H2,(H,10,11);2*1H.
What are the key properties of 6-(aminomethyl)pyridine-3-carboxylic acid;dihydrochloride?
6-(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 6-(aminomethyl)pyridine-3-carboxylic acid;dihydrochloride is sourced from PubChem (CID 71741681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).