2-[(4-bromophenyl)methyl-methylamino]pyridine-4-carboxylic acid

C14H13BrN2O2 — CID 55025543

IUPAC2-[(4-bromophenyl)methyl-methylamino]pyridine-4-carboxylic acid
SMILESCN(Cc1ccc(Br)cc1)c1cc(C(=O)O)ccn1
InChIInChI=1S/C14H13BrN2O2/c1-17(9-10-2-4-12(15)5-3-10)13-8-11(14(18)19)6-7-16-13/h2-8H,9H2,1H3,(H,18,19)
InChIKeyLMWMGRAJIFSISW-UHFFFAOYSA-N
MW321.17 g/mol
LogP3.18
Rot. Bonds4

About 2-[(4-bromophenyl)methyl-methylamino]pyridine-4-carboxylic acid

2-[(4-bromophenyl)methyl-methylamino]pyridine-4-carboxylic acid (PubChem CID 55025543) has the molecular formula C14H13BrN2O2 and a molecular weight of 321.17 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methyl-methylamino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[(4-bromophenyl)methyl-methylamino]pyridine-4-carboxylic acid
PubChem CID55025543
Molecular FormulaC14H13BrN2O2
Molecular Weight321.17 g/mol
Exact Mass320.02
IUPAC Name2-[(4-bromophenyl)methyl-methylamino]pyridine-4-carboxylic acid
SMILESCN(Cc1ccc(Br)cc1)c1cc(C(=O)O)ccn1
InChIInChI=1S/C14H13BrN2O2/c1-17(9-10-2-4-12(15)5-3-10)13-8-11(14(18)19)6-7-16-13/h2-8H,9H2,1H3,(H,18,19)
InChIKeyLMWMGRAJIFSISW-UHFFFAOYSA-N
XLogP3.18
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.17
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl-[(3-methylphenyl)methyl]amino]pyridine-4-carboxylic acid
CID 61411727
2-[ethyl(methyl)amino]pyridine-4-carboxylic acid
CID 43263657
2-[(3-methoxyphenyl)methyl-methylamino]pyridine-4-carboxylic acid
CID 60709004
2-[methyl(pyridin-4-ylmethyl)amino]pyridine-4-carboxamide
CID 75374046
2-[(4-bromophenyl)methyl-methylamino]pyridine-3-carboxylic acid
CID 45423294
2-[chloro-[(4-methoxyphenyl)methyl]amino]pyridine-4-carboxylic acid
CID 87576937
3-[(4-bromo-N-methylanilino)methyl]benzoic acid
CID 115221790
2-[2-[methyl-[(4-methylphenyl)methyl]amino]pyrimidin-4-yl]pyridine-4-carboxylic acid
CID 56878281
2-[methyl(2-methylbutan-2-yl)amino]pyridine-4-carboxylic acid
CID 63957871
2-(N-methylanilino)pyridine-4-carboxylic acid
CID 22643369
2-[benzyl(methyl)amino]-N-[(2-chlorophenyl)methyl]pyridine-4-carboxamide
CID 109170290
N-[(4-bromophenyl)methyl]-2-hydrazinyl-N-methylpyridine-4-carboxamide
CID 62243894

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methyl-methylamino]pyridine-4-carboxylic acid?
The IUPAC name of 2-[(4-bromophenyl)methyl-methylamino]pyridine-4-carboxylic acid (CID 55025543) is 2-[(4-bromophenyl)methyl-methylamino]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[(4-bromophenyl)methyl-methylamino]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[(4-bromophenyl)methyl-methylamino]pyridine-4-carboxylic acid is CN(Cc1ccc(Br)cc1)c1cc(C(=O)O)ccn1.
What is the InChIKey of 2-[(4-bromophenyl)methyl-methylamino]pyridine-4-carboxylic acid?
The InChIKey is LMWMGRAJIFSISW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O2/c1-17(9-10-2-4-12(15)5-3-10)13-8-11(14(18)19)6-7-16-13/h2-8H,9H2,1H3,(H,18,19).
What are the key properties of 2-[(4-bromophenyl)methyl-methylamino]pyridine-4-carboxylic acid?
2-[(4-bromophenyl)methyl-methylamino]pyridine-4-carboxylic acid has a molecular weight of 321.17 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methyl-methylamino]pyridine-4-carboxylic acid is sourced from PubChem (CID 55025543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).