2-[(2-bromophenyl)methylamino]-6-methylpyridine-4-carboxylic acid

C14H13BrN2O2 — CID 113378568

IUPAC2-[(2-bromophenyl)methylamino]-6-methylpyridine-4-carboxylic acid
SMILESCc1cc(C(=O)O)cc(NCc2ccccc2Br)n1
InChIInChI=1S/C14H13BrN2O2/c1-9-6-11(14(18)19)7-13(17-9)16-8-10-4-2-3-5-12(10)15/h2-7H,8H2,1H3,(H,16,17)(H,18,19)
InChIKeyRBIRZBIROQXIAY-UHFFFAOYSA-N
MW321.17 g/mol
LogP3.46
Rot. Bonds4

About 2-[(2-bromophenyl)methylamino]-6-methylpyridine-4-carboxylic acid

2-[(2-bromophenyl)methylamino]-6-methylpyridine-4-carboxylic acid (PubChem CID 113378568) has the molecular formula C14H13BrN2O2 and a molecular weight of 321.17 g/mol. Its IUPAC name is 2-[(2-bromophenyl)methylamino]-6-methylpyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[(2-bromophenyl)methylamino]-6-methylpyridine-4-carboxylic acid
PubChem CID113378568
Molecular FormulaC14H13BrN2O2
Molecular Weight321.17 g/mol
Exact Mass320.02
IUPAC Name2-[(2-bromophenyl)methylamino]-6-methylpyridine-4-carboxylic acid
SMILESCc1cc(C(=O)O)cc(NCc2ccccc2Br)n1
InChIInChI=1S/C14H13BrN2O2/c1-9-6-11(14(18)19)7-13(17-9)16-8-10-4-2-3-5-12(10)15/h2-7H,8H2,1H3,(H,16,17)(H,18,19)
InChIKeyRBIRZBIROQXIAY-UHFFFAOYSA-N
XLogP3.46
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.17
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-6-(pyridin-2-ylmethylamino)pyridine-4-carboxylic acid
CID 113378528
2-[(2-bromophenyl)methylamino]-6-methylpyridine-4-carbonitrile
CID 114765939
N-[(2-bromophenyl)methyl]-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 80898933
4-N-[(2-bromophenyl)methyl]-2-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80794152
2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-6-methylpyridine-4-carboxylic acid
CID 106278034
2-[[2-(2-bromophenyl)acetyl]amino]pyridine-4-carboxylic acid
CID 84610177
2-(2,5-dibromoanilino)-6-methylpyridine-4-carboxylic acid
CID 113378581
2-[(2-bromophenyl)methylamino]-2-methylbutanoic acid
CID 78971162
[2-[[(4,6-dimethyl-2-pyridinyl)amino]methyl]phenyl]methanol
CID 90471998
N-[(2-bromophenyl)methyl]-4-methoxy-6-methylpyrimidin-2-amine
CID 112691839
2-[(2-bromophenyl)methylamino]benzoic acid
CID 43139537
N-[(2-bromophenyl)methyl]-5-methylpyridazin-3-amine
CID 106549621

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromophenyl)methylamino]-6-methylpyridine-4-carboxylic acid?
The IUPAC name of 2-[(2-bromophenyl)methylamino]-6-methylpyridine-4-carboxylic acid (CID 113378568) is 2-[(2-bromophenyl)methylamino]-6-methylpyridine-4-carboxylic acid.
What is the SMILES notation for 2-[(2-bromophenyl)methylamino]-6-methylpyridine-4-carboxylic acid?
The canonical SMILES for 2-[(2-bromophenyl)methylamino]-6-methylpyridine-4-carboxylic acid is Cc1cc(C(=O)O)cc(NCc2ccccc2Br)n1.
What is the InChIKey of 2-[(2-bromophenyl)methylamino]-6-methylpyridine-4-carboxylic acid?
The InChIKey is RBIRZBIROQXIAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O2/c1-9-6-11(14(18)19)7-13(17-9)16-8-10-4-2-3-5-12(10)15/h2-7H,8H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-[(2-bromophenyl)methylamino]-6-methylpyridine-4-carboxylic acid?
2-[(2-bromophenyl)methylamino]-6-methylpyridine-4-carboxylic acid has a molecular weight of 321.17 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromophenyl)methylamino]-6-methylpyridine-4-carboxylic acid is sourced from PubChem (CID 113378568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).