2-[(4-bromophenyl)methyl-methylamino]pyridine-3-carboxylic acid

C14H13BrN2O2 — CID 45423294

IUPAC2-[(4-bromophenyl)methyl-methylamino]pyridine-3-carboxylic acid
SMILESCN(Cc1ccc(Br)cc1)c1ncccc1C(=O)O
InChIInChI=1S/C14H13BrN2O2/c1-17(9-10-4-6-11(15)7-5-10)13-12(14(18)19)3-2-8-16-13/h2-8H,9H2,1H3,(H,18,19)
InChIKeyHTKMJXZKCQPKJM-UHFFFAOYSA-N
MW321.17 g/mol
LogP3.18
Rot. Bonds4

About 2-[(4-bromophenyl)methyl-methylamino]pyridine-3-carboxylic acid

2-[(4-bromophenyl)methyl-methylamino]pyridine-3-carboxylic acid (PubChem CID 45423294) has the molecular formula C14H13BrN2O2 and a molecular weight of 321.17 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methyl-methylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(4-bromophenyl)methyl-methylamino]pyridine-3-carboxylic acid
PubChem CID45423294
Molecular FormulaC14H13BrN2O2
Molecular Weight321.17 g/mol
Exact Mass320.02
IUPAC Name2-[(4-bromophenyl)methyl-methylamino]pyridine-3-carboxylic acid
SMILESCN(Cc1ccc(Br)cc1)c1ncccc1C(=O)O
InChIInChI=1S/C14H13BrN2O2/c1-17(9-10-4-6-11(15)7-5-10)13-12(14(18)19)3-2-8-16-13/h2-8H,9H2,1H3,(H,18,19)
InChIKeyHTKMJXZKCQPKJM-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

4-[[(3-carbamoyl-2-pyridinyl)-methylamino]methyl]benzoic acid
CID 60977524
1-[2-[methyl(pyridin-4-ylmethyl)amino]-3-pyridinyl]ethanone
CID 103721785
2-[carboxy(methyl)amino]pyridine-3-carboxylic acid
CID 67307021
2-[2-hydroxypropyl(methyl)amino]pyridine-3-carboxylic acid
CID 62335652
2-[methyl-[(1-methyltriazol-4-yl)methyl]amino]pyridine-3-carboxylic acid
CID 167844227
3-fluoro-2-[(4-fluorophenyl)methyl-methylamino]pyridine-4-carboxylic acid
CID 105382002
2-[(4-bromophenyl)methyl-methylamino]pyridine-4-carboxylic acid
CID 55025543
N-[(4-bromophenyl)methyl]-N-methyl-2-(methylamino)pyridine-3-carboxamide
CID 62176252
5-amino-6-[(4-bromophenyl)methyl-methylamino]pyridine-2-carboxylic acid
CID 114405667
N-[(4-bromophenyl)methyl]-2-hydrazinyl-N-methylpyridine-3-carboxamide
CID 62243531
2-[(3-bromophenyl)methyl-methylamino]pyridine-3-carbothioamide
CID 61416167
2-(N-methylanilino)pyridine-3-carboxylic acid
CID 139145304

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methyl-methylamino]pyridine-3-carboxylic acid?
The IUPAC name of 2-[(4-bromophenyl)methyl-methylamino]pyridine-3-carboxylic acid (CID 45423294) is 2-[(4-bromophenyl)methyl-methylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[(4-bromophenyl)methyl-methylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[(4-bromophenyl)methyl-methylamino]pyridine-3-carboxylic acid is CN(Cc1ccc(Br)cc1)c1ncccc1C(=O)O.
What is the InChIKey of 2-[(4-bromophenyl)methyl-methylamino]pyridine-3-carboxylic acid?
The InChIKey is HTKMJXZKCQPKJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O2/c1-17(9-10-4-6-11(15)7-5-10)13-12(14(18)19)3-2-8-16-13/h2-8H,9H2,1H3,(H,18,19).
What are the key properties of 2-[(4-bromophenyl)methyl-methylamino]pyridine-3-carboxylic acid?
2-[(4-bromophenyl)methyl-methylamino]pyridine-3-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-3-carboxylic acid is sourced from PubChem (CID 45423294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).