ethyl 2-amino-6-(4-chlorophenyl)pyridine-3-carboxylate

C28H26Cl2N4O4 — CID 139191095

IUPACethyl 2-amino-6-(4-chlorophenyl)pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(-c2ccc(Cl)cc2)nc1N.CCOC(=O)c1ccc(-c2ccc(Cl)cc2)nc1N
InChIInChI=1S/2C14H13ClN2O2/c2*1-2-19-14(18)11-7-8-12(17-13(11)16)9-3-5-10(15)6-4-9/h2*3-8H,2H2,1H3,(H2,16,17)
InChIKeyYOWZZIKALNYGSC-UHFFFAOYSA-N
MW553.45 g/mol
LogP6.32
Rot. Bonds6

About ethyl 2-amino-6-(4-chlorophenyl)pyridine-3-carboxylate

ethyl 2-amino-6-(4-chlorophenyl)pyridine-3-carboxylate (PubChem CID 139191095) has the molecular formula C28H26Cl2N4O4 and a molecular weight of 553.45 g/mol. Its IUPAC name is ethyl 2-amino-6-(4-chlorophenyl)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-6-(4-chlorophenyl)pyridine-3-carboxylate
PubChem CID139191095
Molecular FormulaC28H26Cl2N4O4
Molecular Weight553.45 g/mol
Exact Mass552.13
IUPAC Nameethyl 2-amino-6-(4-chlorophenyl)pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(-c2ccc(Cl)cc2)nc1N.CCOC(=O)c1ccc(-c2ccc(Cl)cc2)nc1N
InChIInChI=1S/2C14H13ClN2O2/c2*1-2-19-14(18)11-7-8-12(17-13(11)16)9-3-5-10(15)6-4-9/h2*3-8H,2H2,1H3,(H2,16,17)
InChIKeyYOWZZIKALNYGSC-UHFFFAOYSA-N
XLogP6.32
TPSA130.42 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.45
LogP ≤ 56.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

6-(4-Chlorophenyl)-2-methyl-3-pyridinecarboxylic acid methyl ester
CID 822962
Ethyl 4-{2-[3-(4-chlorobenzoyl)-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridin-1-YL]acetamido}benzoate
CID 16024551
Ethyl 5-amino-4-(4-chlorophenyl)-2-methyl-6,7,8,9-tetrahydrobenzo[b][1,8]naphthyridine-3-carboxylate
CID 44445179
Ethyl 4-(3,4-dichlorophenyl)-2-(4-methylanilino)-6-phenylpyridine-3-carboxylate
CID 11282954
Ethyl 4-(4-chlorophenyl)-2-morpholin-4-yl-6-phenylpyridine-3-carboxylate
CID 11475732
Ethyl 4-(3,4-dichlorophenyl)-2-morpholin-4-yl-6-phenylpyridine-3-carboxylate
CID 57395092
Ethyl 2-anilino-4-(4-chlorophenyl)-6-phenylpyridine-3-carboxylate
CID 57395093
Ethyl 4-(4-chlorophenyl)-6-phenyl-2-piperidin-1-ylpyridine-3-carboxylate
CID 57396864
Ethyl 4-(3,4-dichlorophenyl)-6-phenyl-2-piperidin-1-ylpyridine-3-carboxylate
CID 57400293
Ethyl 4-(4-chlorophenyl)-2-(4-methoxyanilino)-6-phenylpyridine-3-carboxylate
CID 57402083
Ethyl 4-(4-methylphenyl)-6-phenyl-2-piperidin-1-ylpyridine-3-carboxylate
CID 25110782
Ethyl 2-anilino-4-(4-fluorophenyl)-6-phenylpyridine-3-carboxylate
CID 25110893

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-6-(4-chlorophenyl)pyridine-3-carboxylate?
The IUPAC name of ethyl 2-amino-6-(4-chlorophenyl)pyridine-3-carboxylate (CID 139191095) is ethyl 2-amino-6-(4-chlorophenyl)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-amino-6-(4-chlorophenyl)pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-amino-6-(4-chlorophenyl)pyridine-3-carboxylate is CCOC(=O)c1ccc(-c2ccc(Cl)cc2)nc1N.CCOC(=O)c1ccc(-c2ccc(Cl)cc2)nc1N.
What is the InChIKey of ethyl 2-amino-6-(4-chlorophenyl)pyridine-3-carboxylate?
The InChIKey is YOWZZIKALNYGSC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H13ClN2O2/c2*1-2-19-14(18)11-7-8-12(17-13(11)16)9-3-5-10(15)6-4-9/h2*3-8H,2H2,1H3,(H2,16,17).
What are the key properties of ethyl 2-amino-6-(4-chlorophenyl)pyridine-3-carboxylate?
ethyl 2-amino-6-(4-chlorophenyl)pyridine-3-carboxylate has a molecular weight of 553.45 g/mol, XLogP of 6.32, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-6-(4-chlorophenyl)pyridine-3-carboxylate is sourced from PubChem (CID 139191095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).