ethyl 3-amino-2-(2-bromo-5-chloroanilino)pyridine-4-carboxylate

C14H13BrClN3O2 — CID 81280660

IUPACethyl 3-amino-2-(2-bromo-5-chloroanilino)pyridine-4-carboxylate
SMILESCCOC(=O)c1ccnc(Nc2cc(Cl)ccc2Br)c1N
InChIInChI=1S/C14H13BrClN3O2/c1-2-21-14(20)9-5-6-18-13(12(9)17)19-11-7-8(16)3-4-10(11)15/h3-7H,2,17H2,1H3,(H,18,19)
InChIKeyGEDINDMIPUYIEF-UHFFFAOYSA-N
MW370.63 g/mol
LogP4.00
Rot. Bonds4

About ethyl 3-amino-2-(2-bromo-5-chloroanilino)pyridine-4-carboxylate

ethyl 3-amino-2-(2-bromo-5-chloroanilino)pyridine-4-carboxylate (PubChem CID 81280660) has the molecular formula C14H13BrClN3O2 and a molecular weight of 370.63 g/mol. Its IUPAC name is ethyl 3-amino-2-(2-bromo-5-chloroanilino)pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-2-(2-bromo-5-chloroanilino)pyridine-4-carboxylate
PubChem CID81280660
Molecular FormulaC14H13BrClN3O2
Molecular Weight370.63 g/mol
Exact Mass368.99
IUPAC Nameethyl 3-amino-2-(2-bromo-5-chloroanilino)pyridine-4-carboxylate
SMILESCCOC(=O)c1ccnc(Nc2cc(Cl)ccc2Br)c1N
InChIInChI=1S/C14H13BrClN3O2/c1-2-21-14(20)9-5-6-18-13(12(9)17)19-11-7-8(16)3-4-10(11)15/h3-7H,2,17H2,1H3,(H,18,19)
InChIKeyGEDINDMIPUYIEF-UHFFFAOYSA-N
XLogP4.00
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.63
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-amino-2-(2-chloro-5-fluoroanilino)pyridine-4-carboxylate
CID 107531011
ethyl 3-amino-2-(2-bromo-5-chloroanilino)benzoate
CID 115935390
methyl 3-amino-2-(4-bromo-3-chloroanilino)pyridine-4-carboxylate
CID 107615651
ethyl 2-[[5-amino-6-(2,4-dichloroanilino)pyrimidin-4-yl]amino]benzoate
CID 19149867
3-bromo-N-(2-bromo-5-chlorophenyl)-4-methylpyridin-2-amine
CID 106877332
ethyl 3-amino-4-bromo-2-chlorobenzoate
CID 171016259
ethyl 4-[[5-amino-6-(5-chloro-2-methylanilino)pyrimidin-4-yl]amino]benzoate
CID 22547238
2-N-(2-bromo-4-chlorophenyl)-4-methylpyridine-2,3-diamine
CID 81262191
4-N-(2-bromo-5-chlorophenyl)-6-methoxypyrimidine-4,5-diamine
CID 81263462
ethyl 2-[[5-amino-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]benzoate
CID 22545282
ethyl 3-amino-2-chloropyridine-4-carboxylate;ethyl 3-amino-2,6-dichloropyridine-4-carboxylate
CID 167658682
ethyl 2-[[5-amino-6-(2-chloroanilino)pyrimidin-4-yl]amino]benzoate
CID 19147988

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-2-(2-bromo-5-chloroanilino)pyridine-4-carboxylate?
The IUPAC name of ethyl 3-amino-2-(2-bromo-5-chloroanilino)pyridine-4-carboxylate (CID 81280660) is ethyl 3-amino-2-(2-bromo-5-chloroanilino)pyridine-4-carboxylate.
What is the SMILES notation for ethyl 3-amino-2-(2-bromo-5-chloroanilino)pyridine-4-carboxylate?
The canonical SMILES for ethyl 3-amino-2-(2-bromo-5-chloroanilino)pyridine-4-carboxylate is CCOC(=O)c1ccnc(Nc2cc(Cl)ccc2Br)c1N.
What is the InChIKey of ethyl 3-amino-2-(2-bromo-5-chloroanilino)pyridine-4-carboxylate?
The InChIKey is GEDINDMIPUYIEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClN3O2/c1-2-21-14(20)9-5-6-18-13(12(9)17)19-11-7-8(16)3-4-10(11)15/h3-7H,2,17H2,1H3,(H,18,19).
What are the key properties of ethyl 3-amino-2-(2-bromo-5-chloroanilino)pyridine-4-carboxylate?
ethyl 3-amino-2-(2-bromo-5-chloroanilino)pyridine-4-carboxylate has a molecular weight of 370.63 g/mol, XLogP of 4.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-2-(2-bromo-5-chloroanilino)pyridine-4-carboxylate is sourced from PubChem (CID 81280660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).