6-(pyrrolidin-1-ylmethyl)pyridine-2-carboxylic acid;dihydrochloride

C11H16Cl2N2O2 — CID 56773487

IUPAC6-(pyrrolidin-1-ylmethyl)pyridine-2-carboxylic acid;dihydrochloride
SMILESCl.Cl.O=C(O)c1cccc(CN2CCCC2)n1
InChIInChI=1S/C11H14N2O2.2ClH/c14-11(15)10-5-3-4-9(12-10)8-13-6-1-2-7-13;;/h3-5H,1-2,6-8H2,(H,14,15);2*1H
InChIKeyMIKCOVFTDFLWGY-UHFFFAOYSA-N
MW279.17 g/mol
LogP2.22
Rot. Bonds3

About 6-(pyrrolidin-1-ylmethyl)pyridine-2-carboxylic acid;dihydrochloride

6-(pyrrolidin-1-ylmethyl)pyridine-2-carboxylic acid;dihydrochloride (PubChem CID 56773487) has the molecular formula C11H16Cl2N2O2 and a molecular weight of 279.17 g/mol. Its IUPAC name is 6-(pyrrolidin-1-ylmethyl)pyridine-2-carboxylic acid;dihydrochloride.

Molecular Properties

Compound Name6-(pyrrolidin-1-ylmethyl)pyridine-2-carboxylic acid;dihydrochloride
PubChem CID56773487
Molecular FormulaC11H16Cl2N2O2
Molecular Weight279.17 g/mol
Exact Mass278.06
IUPAC Name6-(pyrrolidin-1-ylmethyl)pyridine-2-carboxylic acid;dihydrochloride
SMILESCl.Cl.O=C(O)c1cccc(CN2CCCC2)n1
InChIInChI=1S/C11H14N2O2.2ClH/c14-11(15)10-5-3-4-9(12-10)8-13-6-1-2-7-13;;/h3-5H,1-2,6-8H2,(H,14,15);2*1H
InChIKeyMIKCOVFTDFLWGY-UHFFFAOYSA-N
XLogP2.22
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.17
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(azepan-1-ylmethyl)pyridine-2-carboxylic acid
CID 106903922
6-(piperidin-1-ylmethyl)pyridine-2-carboxamide
CID 66911251
6-[(4,4-dimethylpiperidin-1-yl)methyl]pyridine-2-carboxylic acid
CID 106904146
6-[[16-[[6-[[16-[(6-carboxy-2-pyridinyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methyl]-2-pyridinyl]methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methyl]pyridine-2-carboxylic acid
CID 164597861
6-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)pyridine-2-carboxylic acid
CID 106904161
6-[(3-carbamoylpiperidin-1-yl)methyl]pyridine-2-carboxylic acid
CID 106903916
6-[(4-tert-butylazepan-1-yl)methyl]pyridine-2-carboxylic acid
CID 106904201
6-[[18-[(6-carboxy-2-pyridinyl)methyl]-2,8,15,21-tetraoxa-5,18-diazatricyclo[20.4.0.09,14]hexacosa-1(26),9,11,13,22,24-hexaen-5-yl]methyl]pyridine-2-carboxylic acid
CID 166147362
6-[(4-methoxypiperidin-1-yl)methyl]pyridine-2-carboxylic acid
CID 106903971
6-[[3-(methylaminomethyl)piperidin-1-yl]methyl]pyridine-2-carboxylic acid
CID 106904012
4-amino-6-[[16-[(6-carboxy-2-pyridinyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methyl]pyridine-2-carboxylic acid;hydrochloride
CID 138911411
6-[[4,7-bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7-triazonan-1-yl]methyl]pyridine-2-carboxylic acid
CID 166721505

Frequently Asked Questions

What is the IUPAC name of 6-(pyrrolidin-1-ylmethyl)pyridine-2-carboxylic acid;dihydrochloride?
The IUPAC name of 6-(pyrrolidin-1-ylmethyl)pyridine-2-carboxylic acid;dihydrochloride (CID 56773487) is 6-(pyrrolidin-1-ylmethyl)pyridine-2-carboxylic acid;dihydrochloride.
What is the SMILES notation for 6-(pyrrolidin-1-ylmethyl)pyridine-2-carboxylic acid;dihydrochloride?
The canonical SMILES for 6-(pyrrolidin-1-ylmethyl)pyridine-2-carboxylic acid;dihydrochloride is Cl.Cl.O=C(O)c1cccc(CN2CCCC2)n1.
What is the InChIKey of 6-(pyrrolidin-1-ylmethyl)pyridine-2-carboxylic acid;dihydrochloride?
The InChIKey is MIKCOVFTDFLWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2.2ClH/c14-11(15)10-5-3-4-9(12-10)8-13-6-1-2-7-13;;/h3-5H,1-2,6-8H2,(H,14,15);2*1H.
What are the key properties of 6-(pyrrolidin-1-ylmethyl)pyridine-2-carboxylic acid;dihydrochloride?
6-(pyrrolidin-1-ylmethyl)pyridine-2-carboxylic acid;dihydrochloride has a molecular weight of 279.17 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(pyrrolidin-1-ylmethyl)pyridine-2-carboxylic acid;dihydrochloride is sourced from PubChem (CID 56773487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).