methyl 2-(3-bromo-N-methylanilino)pyridine-3-carboxylate

C14H13BrN2O2 — CID 155133935

IUPACmethyl 2-(3-bromo-N-methylanilino)pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1N(C)c1cccc(Br)c1
InChIInChI=1S/C14H13BrN2O2/c1-17(11-6-3-5-10(15)9-11)13-12(14(18)19-2)7-4-8-16-13/h3-9H,1-2H3
InChIKeyZRCHGFKFKXRCTI-UHFFFAOYSA-N
MW321.17 g/mol
LogP3.40
Rot. Bonds3

About methyl 2-(3-bromo-N-methylanilino)pyridine-3-carboxylate

methyl 2-(3-bromo-N-methylanilino)pyridine-3-carboxylate (PubChem CID 155133935) has the molecular formula C14H13BrN2O2 and a molecular weight of 321.17 g/mol. Its IUPAC name is methyl 2-(3-bromo-N-methylanilino)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-(3-bromo-N-methylanilino)pyridine-3-carboxylate
PubChem CID155133935
Molecular FormulaC14H13BrN2O2
Molecular Weight321.17 g/mol
Exact Mass320.02
IUPAC Namemethyl 2-(3-bromo-N-methylanilino)pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1N(C)c1cccc(Br)c1
InChIInChI=1S/C14H13BrN2O2/c1-17(11-6-3-5-10(15)9-11)13-12(14(18)19-2)7-4-8-16-13/h3-9H,1-2H3
InChIKeyZRCHGFKFKXRCTI-UHFFFAOYSA-N
XLogP3.40
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.17
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(N-methylanilino)pyridine-3-carboxylic acid
CID 139145304
methyl 3-(3-bromobenzoyl)pyridine-2-carboxylate
CID 19700837
methyl 2-(N-(2-chloroacetyl)anilino)pyridine-3-carboxylate
CID 14677650
methyl 3-(3-bromophenyl)pyridine-2-carboxylate
CID 102538275
methyl 2-(4-bromo-2-methoxyphenyl)pyridine-3-carboxylate
CID 177204669
methyl 2-methylpyridine-3-carboxylate
CID 7015327
2-[tert-butyl-(3-methoxycarbonyl-2-pyridinyl)amino]acetic acid
CID 79269179
dimethyl 2-bromobenzene-1,3-dicarboxylate
CID 12699360
methanol;methyl 2-methylpyridine-3-carboxylate
CID 174704345
CID 87392386
CID 87392386
methyl 2-(trimethylsilylamino)pyridine-3-carboxylate
CID 15121306
methyl benzo[f]quinoline-7-carboxylate
CID 141374435

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-bromo-N-methylanilino)pyridine-3-carboxylate?
The IUPAC name of methyl 2-(3-bromo-N-methylanilino)pyridine-3-carboxylate (CID 155133935) is methyl 2-(3-bromo-N-methylanilino)pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-(3-bromo-N-methylanilino)pyridine-3-carboxylate?
The canonical SMILES for methyl 2-(3-bromo-N-methylanilino)pyridine-3-carboxylate is COC(=O)c1cccnc1N(C)c1cccc(Br)c1.
What is the InChIKey of methyl 2-(3-bromo-N-methylanilino)pyridine-3-carboxylate?
The InChIKey is ZRCHGFKFKXRCTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O2/c1-17(11-6-3-5-10(15)9-11)13-12(14(18)19-2)7-4-8-16-13/h3-9H,1-2H3.
What are the key properties of methyl 2-(3-bromo-N-methylanilino)pyridine-3-carboxylate?
methyl 2-(3-bromo-N-methylanilino)pyridine-3-carboxylate has a molecular weight of 321.17 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-bromo-N-methylanilino)pyridine-3-carboxylate is sourced from PubChem (CID 155133935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).