2-[[(2-chlorophenyl)methyl-ethylamino]methyl]pyridine-3-carboxylic acid

C16H17ClN2O2 — CID 136574744

IUPAC2-[[(2-chlorophenyl)methyl-ethylamino]methyl]pyridine-3-carboxylic acid
SMILESCCN(Cc1ccccc1Cl)Cc1ncccc1C(=O)O
InChIInChI=1S/C16H17ClN2O2/c1-2-19(10-12-6-3-4-8-14(12)17)11-15-13(16(20)21)7-5-9-18-15/h3-9H,2,10-11H2,1H3,(H,20,21)
InChIKeyLLHPYSVFHLYULM-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.46
Rot. Bonds6

About 2-[[(2-chlorophenyl)methyl-ethylamino]methyl]pyridine-3-carboxylic acid

2-[[(2-chlorophenyl)methyl-ethylamino]methyl]pyridine-3-carboxylic acid (PubChem CID 136574744) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 2-[[(2-chlorophenyl)methyl-ethylamino]methyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[[(2-chlorophenyl)methyl-ethylamino]methyl]pyridine-3-carboxylic acid
PubChem CID136574744
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name2-[[(2-chlorophenyl)methyl-ethylamino]methyl]pyridine-3-carboxylic acid
SMILESCCN(Cc1ccccc1Cl)Cc1ncccc1C(=O)O
InChIInChI=1S/C16H17ClN2O2/c1-2-19(10-12-6-3-4-8-14(12)17)11-15-13(16(20)21)7-5-9-18-15/h3-9H,2,10-11H2,1H3,(H,20,21)
InChIKeyLLHPYSVFHLYULM-UHFFFAOYSA-N
XLogP3.46
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(ethyl)amino]methyl]pyridine-3-carboxylic acid
CID 138003749
2-chloro-N-[(2-chlorophenyl)methyl]-N-methylpyridine-3-carboxamide
CID 60628317
2-[[(2-amino-2-oxoethyl)-butylamino]methyl]pyridine-3-carboxylic acid
CID 114198495
2-[(2-chlorophenyl)methyl-methylcarbamoyl]benzoic acid
CID 43399794
2-[[2-hydroxyethyl(methyl)amino]methyl]pyridine-3-carboxylic acid
CID 82187670
2-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]pyridine-3-carboxylic acid
CID 114198580
2-(chloromethyl)pyridine-3-carboxylic acid
CID 19829123
3-[(2-chlorophenyl)methyl-(2-methylprop-2-enyl)amino]propanoic acid
CID 82329777
2-[[methyl-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]amino]methyl]benzoic acid
CID 95225327
2-(3-chloro-2-pyridinyl)acetic acid;hydrochloride
CID 68723222
3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyridine-2-carboxylic acid
CID 63068298
2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]pyridine-3-carboxylic acid
CID 114198835

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-chlorophenyl)methyl-ethylamino]methyl]pyridine-3-carboxylic acid?
The IUPAC name of 2-[[(2-chlorophenyl)methyl-ethylamino]methyl]pyridine-3-carboxylic acid (CID 136574744) is 2-[[(2-chlorophenyl)methyl-ethylamino]methyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[[(2-chlorophenyl)methyl-ethylamino]methyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[[(2-chlorophenyl)methyl-ethylamino]methyl]pyridine-3-carboxylic acid is CCN(Cc1ccccc1Cl)Cc1ncccc1C(=O)O.
What is the InChIKey of 2-[[(2-chlorophenyl)methyl-ethylamino]methyl]pyridine-3-carboxylic acid?
The InChIKey is LLHPYSVFHLYULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-2-19(10-12-6-3-4-8-14(12)17)11-15-13(16(20)21)7-5-9-18-15/h3-9H,2,10-11H2,1H3,(H,20,21).
What are the key properties of 2-[[(2-chlorophenyl)methyl-ethylamino]methyl]pyridine-3-carboxylic acid?
2-[[(2-chlorophenyl)methyl-ethylamino]methyl]pyridine-3-carboxylic acid has a molecular weight of 304.78 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-chlorophenyl)methyl-ethylamino]methyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 136574744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).