6-[(2-bromophenyl)methyl-methylamino]pyridine-3-carboxylic acid

C14H13BrN2O2 — CID 61420530

IUPAC6-[(2-bromophenyl)methyl-methylamino]pyridine-3-carboxylic acid
SMILESCN(Cc1ccccc1Br)c1ccc(C(=O)O)cn1
InChIInChI=1S/C14H13BrN2O2/c1-17(9-11-4-2-3-5-12(11)15)13-7-6-10(8-16-13)14(18)19/h2-8H,9H2,1H3,(H,18,19)
InChIKeyFFCUHCPJZDUZAU-UHFFFAOYSA-N
MW321.17 g/mol
LogP3.18
Rot. Bonds4

About 6-[(2-bromophenyl)methyl-methylamino]pyridine-3-carboxylic acid

6-[(2-bromophenyl)methyl-methylamino]pyridine-3-carboxylic acid (PubChem CID 61420530) has the molecular formula C14H13BrN2O2 and a molecular weight of 321.17 g/mol. Its IUPAC name is 6-[(2-bromophenyl)methyl-methylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(2-bromophenyl)methyl-methylamino]pyridine-3-carboxylic acid
PubChem CID61420530
Molecular FormulaC14H13BrN2O2
Molecular Weight321.17 g/mol
Exact Mass320.02
IUPAC Name6-[(2-bromophenyl)methyl-methylamino]pyridine-3-carboxylic acid
SMILESCN(Cc1ccccc1Br)c1ccc(C(=O)O)cn1
InChIInChI=1S/C14H13BrN2O2/c1-17(9-11-4-2-3-5-12(11)15)13-7-6-10(8-16-13)14(18)19/h2-8H,9H2,1H3,(H,18,19)
InChIKeyFFCUHCPJZDUZAU-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

6-[methyl-[(2-methylphenyl)methyl]amino]pyridine-3-carboxylic acid
CID 61411567
6-(N-methylanilino)pyridine-3-carboxylic acid
CID 16778360
4-[(2-bromophenyl)methyl-methylamino]pyridine-3-carboxylic acid
CID 81232826
6-[(2-bromophenyl)methylsulfanyl]pyridine-3-carboxylic acid
CID 61299156
N-[(2-bromophenyl)methyl]-5-(ethylaminomethyl)-N-methylpyrazin-2-amine
CID 107379580
6-[methyl(5-phenylpentyl)amino]pyridine-3-carboxylic acid
CID 70610869
4-[[(2-bromophenyl)methyl-methylamino]methyl]-3-fluorobenzoic acid
CID 63074188
methyl 6-[(2-bromophenyl)methyl-methylcarbamoyl]pyridine-3-carboxylate
CID 32812277
6-bromo-N-[(2-bromophenyl)methyl]-N-methylpyridin-2-amine
CID 63962798
2-[(2-bromophenyl)methyl-methylamino]-6-methylpyrimidine-4-carboxylic acid
CID 107553781
N-[(2-bromophenyl)methyl]-N-methyl-6-(methylaminomethyl)pyridazin-3-amine
CID 55059071
6-[methyl(2-pyrrolidin-1-ylethyl)amino]pyridine-3-carboxylic acid
CID 63208877

Frequently Asked Questions

What is the IUPAC name of 6-[(2-bromophenyl)methyl-methylamino]pyridine-3-carboxylic acid?
The IUPAC name of 6-[(2-bromophenyl)methyl-methylamino]pyridine-3-carboxylic acid (CID 61420530) is 6-[(2-bromophenyl)methyl-methylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[(2-bromophenyl)methyl-methylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[(2-bromophenyl)methyl-methylamino]pyridine-3-carboxylic acid is CN(Cc1ccccc1Br)c1ccc(C(=O)O)cn1.
What is the InChIKey of 6-[(2-bromophenyl)methyl-methylamino]pyridine-3-carboxylic acid?
The InChIKey is FFCUHCPJZDUZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O2/c1-17(9-11-4-2-3-5-12(11)15)13-7-6-10(8-16-13)14(18)19/h2-8H,9H2,1H3,(H,18,19).
What are the key properties of 6-[(2-bromophenyl)methyl-methylamino]pyridine-3-carboxylic acid?
6-[(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 6-[(2-bromophenyl)methyl-methylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 61420530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).