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

C14H13BrN2O2 — CID 81232826

IUPAC4-[(2-bromophenyl)methyl-methylamino]pyridine-3-carboxylic acid
SMILESCN(Cc1ccccc1Br)c1ccncc1C(=O)O
InChIInChI=1S/C14H13BrN2O2/c1-17(9-10-4-2-3-5-12(10)15)13-6-7-16-8-11(13)14(18)19/h2-8H,9H2,1H3,(H,18,19)
InChIKeyHKQAXEOCYQWRKW-UHFFFAOYSA-N
MW321.17 g/mol
LogP3.18
Rot. Bonds4

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

4-[(2-bromophenyl)methyl-methylamino]pyridine-3-carboxylic acid (PubChem CID 81232826) has the molecular formula C14H13BrN2O2 and a molecular weight of 321.17 g/mol. Its IUPAC name is 4-[(2-bromophenyl)methyl-methylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-[(2-bromophenyl)methyl-methylamino]pyridine-3-carboxylic acid
PubChem CID81232826
Molecular FormulaC14H13BrN2O2
Molecular Weight321.17 g/mol
Exact Mass320.02
IUPAC Name4-[(2-bromophenyl)methyl-methylamino]pyridine-3-carboxylic acid
SMILESCN(Cc1ccccc1Br)c1ccncc1C(=O)O
InChIInChI=1S/C14H13BrN2O2/c1-17(9-10-4-2-3-5-12(10)15)13-6-7-16-8-11(13)14(18)19/h2-8H,9H2,1H3,(H,18,19)
InChIKeyHKQAXEOCYQWRKW-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-N-[(2-bromophenyl)methyl]-4-N-methylpyridine-3,4-diamine
CID 61358641
4-[ethyl(methyl)amino]pyridine-3-carboxylic acid
CID 81233141
1-[5-bromo-2-[(2-bromophenyl)methyl-methylamino]phenyl]ethanone
CID 82967281
N-[(2-bromophenyl)methyl]-N-methyl-3-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 81249514
4-(dibenzylamino)pyridine-3-carboxylic acid
CID 130163001
6-[(2-bromophenyl)methyl-methylamino]pyridine-3-carboxylic acid
CID 61420530
2-[(2-bromophenyl)methyl-methylamino]benzenecarbothioamide
CID 61420434
4-(N-aminoanilino)pyridine-3-carboxylic acid
CID 121009613
4-[(2-bromophenyl)methyl-methylamino]pyridine-2-carboxamide
CID 133313281
2-[(2-bromophenyl)methyl-methylamino]-6-methylpyrimidine-4-carboxylic acid
CID 107553781
5-bromo-2-[(2-bromophenyl)methyl-methylamino]benzenecarbothioamide
CID 114891434
N-[(2-bromophenyl)methyl]-N-methylhydroxylamine
CID 82613877

Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromophenyl)methyl-methylamino]pyridine-3-carboxylic acid?
The IUPAC name of 4-[(2-bromophenyl)methyl-methylamino]pyridine-3-carboxylic acid (CID 81232826) is 4-[(2-bromophenyl)methyl-methylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 4-[(2-bromophenyl)methyl-methylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 4-[(2-bromophenyl)methyl-methylamino]pyridine-3-carboxylic acid is CN(Cc1ccccc1Br)c1ccncc1C(=O)O.
What is the InChIKey of 4-[(2-bromophenyl)methyl-methylamino]pyridine-3-carboxylic acid?
The InChIKey is HKQAXEOCYQWRKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O2/c1-17(9-10-4-2-3-5-12(10)15)13-6-7-16-8-11(13)14(18)19/h2-8H,9H2,1H3,(H,18,19).
What are the key properties of 4-[(2-bromophenyl)methyl-methylamino]pyridine-3-carboxylic acid?
4-[(2-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 4-[(2-bromophenyl)methyl-methylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 81232826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).