ethane;6-(methylaminomethyl)pyridine-2-carboxylic acid

C12H22N2O2 — CID 166148097

IUPACethane;6-(methylaminomethyl)pyridine-2-carboxylic acid
SMILESCC.CC.CNCc1cccc(C(=O)O)n1
InChIInChI=1S/C8H10N2O2.2C2H6/c1-9-5-6-3-2-4-7(10-6)8(11)12;2*1-2/h2-4,9H,5H2,1H3,(H,11,12);2*1-2H3
InChIKeyMPQDVSDVQYYESR-UHFFFAOYSA-N
MW226.32 g/mol
LogP2.55
Rot. Bonds3

About ethane;6-(methylaminomethyl)pyridine-2-carboxylic acid

ethane;6-(methylaminomethyl)pyridine-2-carboxylic acid (PubChem CID 166148097) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is ethane;6-(methylaminomethyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Nameethane;6-(methylaminomethyl)pyridine-2-carboxylic acid
PubChem CID166148097
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Nameethane;6-(methylaminomethyl)pyridine-2-carboxylic acid
SMILESCC.CC.CNCc1cccc(C(=O)O)n1
InChIInChI=1S/C8H10N2O2.2C2H6/c1-9-5-6-3-2-4-7(10-6)8(11)12;2*1-2/h2-4,9H,5H2,1H3,(H,11,12);2*1-2H3
InChIKeyMPQDVSDVQYYESR-UHFFFAOYSA-N
XLogP2.55
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(methylcarbamoylamino)methyl]pyridine-2-carboxylic acid
CID 84676608
6-[(methoxycarbonylamino)methyl]pyridine-2-carboxylic acid
CID 84677462
6-[(but-2-ynylamino)methyl]pyridine-2-carboxylic acid
CID 106904962
6-[[(2-methylcyclopropyl)methylamino]methyl]pyridine-2-carboxylic acid
CID 106904960
6-[(3-methylbut-2-enylamino)methyl]pyridine-2-carboxylic acid
CID 106190462
6-[[methyl-[2-(methylamino)ethyl]amino]methyl]pyridine-2-carboxylic acid
CID 106904193
6-[(2-ethylbutylamino)methyl]pyridine-2-carboxylic acid
CID 106904993
6-[[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]methyl]pyridine-2-carboxylic acid
CID 106278506
6-[(3-hydroxybutylamino)methyl]pyridine-2-carboxylic acid
CID 106904745
6-[[[2-(ethylamino)-2-oxoethyl]amino]methyl]pyridine-2-carboxylic acid
CID 106904472
6-(hydroxymethyl)pyridine-2-carboxylic acid;hydrochloride
CID 146675255
copper;bis((NE)-N-[1-[6-(methylaminomethyl)-2-pyridinyl]ethylidene]hydroxylamine)
CID 135528783

Frequently Asked Questions

What is the IUPAC name of ethane;6-(methylaminomethyl)pyridine-2-carboxylic acid?
The IUPAC name of ethane;6-(methylaminomethyl)pyridine-2-carboxylic acid (CID 166148097) is ethane;6-(methylaminomethyl)pyridine-2-carboxylic acid.
What is the SMILES notation for ethane;6-(methylaminomethyl)pyridine-2-carboxylic acid?
The canonical SMILES for ethane;6-(methylaminomethyl)pyridine-2-carboxylic acid is CC.CC.CNCc1cccc(C(=O)O)n1.
What is the InChIKey of ethane;6-(methylaminomethyl)pyridine-2-carboxylic acid?
The InChIKey is MPQDVSDVQYYESR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2.2C2H6/c1-9-5-6-3-2-4-7(10-6)8(11)12;2*1-2/h2-4,9H,5H2,1H3,(H,11,12);2*1-2H3.
What are the key properties of ethane;6-(methylaminomethyl)pyridine-2-carboxylic acid?
ethane;6-(methylaminomethyl)pyridine-2-carboxylic acid has a molecular weight of 226.32 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-(methylaminomethyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 166148097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).