methyl 5-amino-6-(2-bromo-4-cyanoanilino)pyridine-2-carboxylate

C14H11BrN4O2 — CID 107793040

IUPACmethyl 5-amino-6-(2-bromo-4-cyanoanilino)pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(N)c(Nc2ccc(C#N)cc2Br)n1
InChIInChI=1S/C14H11BrN4O2/c1-21-14(20)12-5-3-10(17)13(19-12)18-11-4-2-8(7-16)6-9(11)15/h2-6H,17H2,1H3,(H,18,19)
InChIKeyGEALWJNHZJVWRL-UHFFFAOYSA-N
MW347.17 g/mol
LogP2.83
Rot. Bonds3

About methyl 5-amino-6-(2-bromo-4-cyanoanilino)pyridine-2-carboxylate

methyl 5-amino-6-(2-bromo-4-cyanoanilino)pyridine-2-carboxylate (PubChem CID 107793040) has the molecular formula C14H11BrN4O2 and a molecular weight of 347.17 g/mol. Its IUPAC name is methyl 5-amino-6-(2-bromo-4-cyanoanilino)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-6-(2-bromo-4-cyanoanilino)pyridine-2-carboxylate
PubChem CID107793040
Molecular FormulaC14H11BrN4O2
Molecular Weight347.17 g/mol
Exact Mass346.01
IUPAC Namemethyl 5-amino-6-(2-bromo-4-cyanoanilino)pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(N)c(Nc2ccc(C#N)cc2Br)n1
InChIInChI=1S/C14H11BrN4O2/c1-21-14(20)12-5-3-10(17)13(19-12)18-11-4-2-8(7-16)6-9(11)15/h2-6H,17H2,1H3,(H,18,19)
InChIKeyGEALWJNHZJVWRL-UHFFFAOYSA-N
XLogP2.83
TPSA101.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.17
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-amino-6-(2-cyano-4-fluoroanilino)pyridine-2-carboxylate
CID 114407384
methyl 5-amino-6-(4-bromo-2-ethylanilino)pyridine-2-carboxylate
CID 114407264
methyl 5-amino-6-(5-bromo-4-fluoro-2-methylanilino)pyridine-2-carboxylate
CID 107593608
methyl 5-amino-6-(4-fluoro-2-iodoanilino)pyridine-2-carboxylate
CID 114407006
5-amino-6-(2,4-dibromoanilino)pyridine-2-carboxamide
CID 114405827
5-amino-6-(2-bromo-4-cyanoanilino)pyridine-3-carboxylic acid
CID 107793033
methyl 5-amino-6-(2-chloroanilino)pyridine-2-carboxylate
CID 114405187
2-(2-bromo-4-cyanoanilino)-4,6-dimethylpyridine-3-carboxylic acid
CID 107791200
4-amino-3-(2-bromo-4-cyanoanilino)benzamide
CID 107787252
methyl 5-amino-6-(2-chloro-5-fluoroanilino)pyridine-2-carboxylate
CID 107531028
4-[(3-amino-5-bromo-2-pyridinyl)amino]-3-bromobenzonitrile
CID 107787260
4-[(2-amino-5-bromopyrimidin-4-yl)amino]-3-bromobenzonitrile
CID 107795143

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-6-(2-bromo-4-cyanoanilino)pyridine-2-carboxylate?
The IUPAC name of methyl 5-amino-6-(2-bromo-4-cyanoanilino)pyridine-2-carboxylate (CID 107793040) is methyl 5-amino-6-(2-bromo-4-cyanoanilino)pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-amino-6-(2-bromo-4-cyanoanilino)pyridine-2-carboxylate?
The canonical SMILES for methyl 5-amino-6-(2-bromo-4-cyanoanilino)pyridine-2-carboxylate is COC(=O)c1ccc(N)c(Nc2ccc(C#N)cc2Br)n1.
What is the InChIKey of methyl 5-amino-6-(2-bromo-4-cyanoanilino)pyridine-2-carboxylate?
The InChIKey is GEALWJNHZJVWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN4O2/c1-21-14(20)12-5-3-10(17)13(19-12)18-11-4-2-8(7-16)6-9(11)15/h2-6H,17H2,1H3,(H,18,19).
What are the key properties of methyl 5-amino-6-(2-bromo-4-cyanoanilino)pyridine-2-carboxylate?
methyl 5-amino-6-(2-bromo-4-cyanoanilino)pyridine-2-carboxylate has a molecular weight of 347.17 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-6-(2-bromo-4-cyanoanilino)pyridine-2-carboxylate is sourced from PubChem (CID 107793040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).