methyl 2-(2-bromo-5-methylanilino)pyridine-4-carboxylate

C14H13BrN2O2 — CID 114075074

IUPACmethyl 2-(2-bromo-5-methylanilino)pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(Nc2cc(C)ccc2Br)c1
InChIInChI=1S/C14H13BrN2O2/c1-9-3-4-11(15)12(7-9)17-13-8-10(5-6-16-13)14(18)19-2/h3-8H,1-2H3,(H,16,17)
InChIKeyQXDYGAYEQIZLNV-UHFFFAOYSA-N
MW321.17 g/mol
LogP3.68
Rot. Bonds3

About methyl 2-(2-bromo-5-methylanilino)pyridine-4-carboxylate

methyl 2-(2-bromo-5-methylanilino)pyridine-4-carboxylate (PubChem CID 114075074) has the molecular formula C14H13BrN2O2 and a molecular weight of 321.17 g/mol. Its IUPAC name is methyl 2-(2-bromo-5-methylanilino)pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2-bromo-5-methylanilino)pyridine-4-carboxylate
PubChem CID114075074
Molecular FormulaC14H13BrN2O2
Molecular Weight321.17 g/mol
Exact Mass320.02
IUPAC Namemethyl 2-(2-bromo-5-methylanilino)pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(Nc2cc(C)ccc2Br)c1
InChIInChI=1S/C14H13BrN2O2/c1-9-3-4-11(15)12(7-9)17-13-8-10(5-6-16-13)14(18)19-2/h3-8H,1-2H3,(H,16,17)
InChIKeyQXDYGAYEQIZLNV-UHFFFAOYSA-N
XLogP3.68
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.17
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(2-bromo-5-iodoanilino)pyridine-4-carboxylate
CID 114260440
methyl 2-(3-bromo-4-fluoroanilino)pyridine-4-carboxylate
CID 114075085
methyl 2-[(5-bromo-3-pyridinyl)amino]pyridine-4-carboxylate
CID 114222382
methyl 2-(phosphanylamino)pyridine-4-carboxylate
CID 22084632
methyl 2-[(3-methylbenzoyl)amino]pyridine-4-carboxylate
CID 171703679
methyl 3-[[4-[(3,5-dimethylphenyl)carbamoyl]-2-pyridinyl]amino]benzoate
CID 109176715
5-bromo-N-(2-bromo-5-methylphenyl)-4-methylpyridin-2-amine
CID 114870518
methyl 2-(trideuteriomethylamino)pyridine-4-carboxylate
CID 155292007
2-(2-bromo-4-methylanilino)-N-methyl-N-phenylpyridine-4-carboxamide
CID 109176370
2-(2-bromoanilino)-N-(3-methylphenyl)pyridine-4-carboxamide
CID 109176245
N-(2-methoxy-5-methylphenyl)-2-(2,3,4-trifluoroanilino)pyridine-4-carboxamide
CID 109178240
N-(4-ethylphenyl)-2-(2-methoxy-5-methylanilino)pyridine-4-carboxamide
CID 109176882

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-bromo-5-methylanilino)pyridine-4-carboxylate?
The IUPAC name of methyl 2-(2-bromo-5-methylanilino)pyridine-4-carboxylate (CID 114075074) is methyl 2-(2-bromo-5-methylanilino)pyridine-4-carboxylate.
What is the SMILES notation for methyl 2-(2-bromo-5-methylanilino)pyridine-4-carboxylate?
The canonical SMILES for methyl 2-(2-bromo-5-methylanilino)pyridine-4-carboxylate is COC(=O)c1ccnc(Nc2cc(C)ccc2Br)c1.
What is the InChIKey of methyl 2-(2-bromo-5-methylanilino)pyridine-4-carboxylate?
The InChIKey is QXDYGAYEQIZLNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O2/c1-9-3-4-11(15)12(7-9)17-13-8-10(5-6-16-13)14(18)19-2/h3-8H,1-2H3,(H,16,17).
What are the key properties of methyl 2-(2-bromo-5-methylanilino)pyridine-4-carboxylate?
methyl 2-(2-bromo-5-methylanilino)pyridine-4-carboxylate has a molecular weight of 321.17 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-bromo-5-methylanilino)pyridine-4-carboxylate is sourced from PubChem (CID 114075074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).