6-[[[(1S)-1-(3-chlorophenyl)ethyl]amino]methyl]pyridine-2-carboxylic acid

C15H15ClN2O2 — CID 106904845

IUPAC6-[[[(1S)-1-(3-chlorophenyl)ethyl]amino]methyl]pyridine-2-carboxylic acid
SMILESC[C@H](NCc1cccc(C(=O)O)n1)c1cccc(Cl)c1
InChIInChI=1S/C15H15ClN2O2/c1-10(11-4-2-5-12(16)8-11)17-9-13-6-3-7-14(18-13)15(19)20/h2-8,10,17H,9H2,1H3,(H,19,20)/t10-/m0/s1
InChIKeyCLDZVOORPHZRFZ-JTQLQIEISA-N
MW290.75 g/mol
LogP3.28
Rot. Bonds5

About 6-[[[(1S)-1-(3-chlorophenyl)ethyl]amino]methyl]pyridine-2-carboxylic acid

6-[[[(1S)-1-(3-chlorophenyl)ethyl]amino]methyl]pyridine-2-carboxylic acid (PubChem CID 106904845) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is 6-[[[(1S)-1-(3-chlorophenyl)ethyl]amino]methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[[(1S)-1-(3-chlorophenyl)ethyl]amino]methyl]pyridine-2-carboxylic acid
PubChem CID106904845
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name6-[[[(1S)-1-(3-chlorophenyl)ethyl]amino]methyl]pyridine-2-carboxylic acid
SMILESC[C@H](NCc1cccc(C(=O)O)n1)c1cccc(Cl)c1
InChIInChI=1S/C15H15ClN2O2/c1-10(11-4-2-5-12(16)8-11)17-9-13-6-3-7-14(18-13)15(19)20/h2-8,10,17H,9H2,1H3,(H,19,20)/t10-/m0/s1
InChIKeyCLDZVOORPHZRFZ-JTQLQIEISA-N
XLogP3.28
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[[1-(4-bromophenyl)ethylamino]methyl]pyridine-2-carboxylic acid
CID 106904588
6-[[[(1R)-1-(4-methoxyphenyl)ethyl]amino]methyl]pyridine-2-carboxylic acid
CID 106904831
1-(3-chlorophenyl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine
CID 63986667
6-[(1-thiophen-2-ylethylamino)methyl]pyridine-2-carboxylic acid
CID 106904477
4-[[[(1R)-1-(3-chlorophenyl)ethyl]amino]methyl]benzoic acid
CID 81366062
(1S)-1-(3-chlorophenyl)-N-[(2,6-dichlorophenyl)methyl]ethanamine
CID 30052784
5-[[1-(3-chlorophenyl)ethylamino]methyl]thiophene-2-carboxylic acid
CID 103242506
4-[[(1R)-1-(3-chlorophenyl)ethyl]amino]butanoic acid
CID 81372584
1-(3-chlorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 43183544
6-[(3-propan-2-ylanilino)methyl]pyridine-2-carboxylic acid
CID 106904433
N-[(4-chloro-2-fluorophenyl)methyl]-1-(3-chlorophenyl)ethanamine
CID 114841425
(1S)-N-[(4-chloro-2-fluorophenyl)methyl]-1-(3-chlorophenyl)ethanamine
CID 104979988

Frequently Asked Questions

What is the IUPAC name of 6-[[[(1S)-1-(3-chlorophenyl)ethyl]amino]methyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[[[(1S)-1-(3-chlorophenyl)ethyl]amino]methyl]pyridine-2-carboxylic acid (CID 106904845) is 6-[[[(1S)-1-(3-chlorophenyl)ethyl]amino]methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[[[(1S)-1-(3-chlorophenyl)ethyl]amino]methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[[[(1S)-1-(3-chlorophenyl)ethyl]amino]methyl]pyridine-2-carboxylic acid is C[C@H](NCc1cccc(C(=O)O)n1)c1cccc(Cl)c1.
What is the InChIKey of 6-[[[(1S)-1-(3-chlorophenyl)ethyl]amino]methyl]pyridine-2-carboxylic acid?
The InChIKey is CLDZVOORPHZRFZ-JTQLQIEISA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-10(11-4-2-5-12(16)8-11)17-9-13-6-3-7-14(18-13)15(19)20/h2-8,10,17H,9H2,1H3,(H,19,20)/t10-/m0/s1.
What are the key properties of 6-[[[(1S)-1-(3-chlorophenyl)ethyl]amino]methyl]pyridine-2-carboxylic acid?
6-[[[(1S)-1-(3-chlorophenyl)ethyl]amino]methyl]pyridine-2-carboxylic acid has a molecular weight of 290.75 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[[(1S)-1-(3-chlorophenyl)ethyl]amino]methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 106904845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).