6-[[(2-chlorophenyl)methyl-methylamino]methyl]pyridine-2-carboxylic acid

C15H15ClN2O2 — CID 106904019

IUPAC6-[[(2-chlorophenyl)methyl-methylamino]methyl]pyridine-2-carboxylic acid
SMILESCN(Cc1cccc(C(=O)O)n1)Cc1ccccc1Cl
InChIInChI=1S/C15H15ClN2O2/c1-18(9-11-5-2-3-7-13(11)16)10-12-6-4-8-14(17-12)15(19)20/h2-8H,9-10H2,1H3,(H,19,20)
InChIKeyHVMRJVBWVFJXQS-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.07
Rot. Bonds5

About 6-[[(2-chlorophenyl)methyl-methylamino]methyl]pyridine-2-carboxylic acid

6-[[(2-chlorophenyl)methyl-methylamino]methyl]pyridine-2-carboxylic acid (PubChem CID 106904019) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is 6-[[(2-chlorophenyl)methyl-methylamino]methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[(2-chlorophenyl)methyl-methylamino]methyl]pyridine-2-carboxylic acid
PubChem CID106904019
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name6-[[(2-chlorophenyl)methyl-methylamino]methyl]pyridine-2-carboxylic acid
SMILESCN(Cc1cccc(C(=O)O)n1)Cc1ccccc1Cl
InChIInChI=1S/C15H15ClN2O2/c1-18(9-11-5-2-3-7-13(11)16)10-12-6-4-8-14(17-12)15(19)20/h2-8H,9-10H2,1H3,(H,19,20)
InChIKeyHVMRJVBWVFJXQS-UHFFFAOYSA-N
XLogP3.07
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[[(2-chlorophenyl)methyl-methylamino]methyl]pyridine-2-carbohydrazide
CID 106909258
6-[[2-(dimethylamino)ethyl-methylamino]methyl]pyridine-2-carboxylic acid
CID 106904183
6-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]pyridine-2-carboxylic acid
CID 106904043
6-[[(2-chlorophenyl)methyl-methylamino]methyl]-N-methylpyridin-2-amine
CID 79243670
6-[[(4-fluorophenyl)methyl-methylamino]methyl]pyridine-2-carboxylic acid
CID 106904017
2-[2-[[(2-chlorophenyl)methyl-methylamino]methyl]phenyl]acetic acid
CID 115462653
1-(2-chlorophenyl)-N-[(2-chlorophenyl)methyl]-N-methylmethanamine
CID 71304139
6-[[methyl-[2-(methylamino)ethyl]amino]methyl]pyridine-2-carboxylic acid
CID 106904193
6-[[(2-chlorophenyl)methyl-methylamino]methyl]-N-propylpyridin-2-amine
CID 79234167
6-[[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]methyl]pyridine-2-carboxylic acid
CID 74233804
3-[[(2-chlorophenyl)methyl-methylamino]methyl]-4-fluorobenzoic acid
CID 63074911
5-[(2-chlorophenyl)methyl-methylamino]pyridine-2-carboxylic acid
CID 113321608

Frequently Asked Questions

What is the IUPAC name of 6-[[(2-chlorophenyl)methyl-methylamino]methyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[[(2-chlorophenyl)methyl-methylamino]methyl]pyridine-2-carboxylic acid (CID 106904019) is 6-[[(2-chlorophenyl)methyl-methylamino]methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[[(2-chlorophenyl)methyl-methylamino]methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[[(2-chlorophenyl)methyl-methylamino]methyl]pyridine-2-carboxylic acid is CN(Cc1cccc(C(=O)O)n1)Cc1ccccc1Cl.
What is the InChIKey of 6-[[(2-chlorophenyl)methyl-methylamino]methyl]pyridine-2-carboxylic acid?
The InChIKey is HVMRJVBWVFJXQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-18(9-11-5-2-3-7-13(11)16)10-12-6-4-8-14(17-12)15(19)20/h2-8H,9-10H2,1H3,(H,19,20).
What are the key properties of 6-[[(2-chlorophenyl)methyl-methylamino]methyl]pyridine-2-carboxylic acid?
6-[[(2-chlorophenyl)methyl-methylamino]methyl]pyridine-2-carboxylic acid has a molecular weight of 290.75 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(2-chlorophenyl)methyl-methylamino]methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 106904019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).