ethyl 5-(3-chloroanilino)pyridine-3-carboxylate

C14H13ClN2O2 — CID 82535073

IUPACethyl 5-(3-chloroanilino)pyridine-3-carboxylate
SMILESCCOC(=O)c1cncc(Nc2cccc(Cl)c2)c1
InChIInChI=1S/C14H13ClN2O2/c1-2-19-14(18)10-6-13(9-16-8-10)17-12-5-3-4-11(15)7-12/h3-9,17H,2H2,1H3
InChIKeyRIXTZUOGXPNXSZ-UHFFFAOYSA-N
MW276.72 g/mol
LogP3.66
Rot. Bonds4

About ethyl 5-(3-chloroanilino)pyridine-3-carboxylate

ethyl 5-(3-chloroanilino)pyridine-3-carboxylate (PubChem CID 82535073) has the molecular formula C14H13ClN2O2 and a molecular weight of 276.72 g/mol. Its IUPAC name is ethyl 5-(3-chloroanilino)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(3-chloroanilino)pyridine-3-carboxylate
PubChem CID82535073
Molecular FormulaC14H13ClN2O2
Molecular Weight276.72 g/mol
Exact Mass276.07
IUPAC Nameethyl 5-(3-chloroanilino)pyridine-3-carboxylate
SMILESCCOC(=O)c1cncc(Nc2cccc(Cl)c2)c1
InChIInChI=1S/C14H13ClN2O2/c1-2-19-14(18)10-6-13(9-16-8-10)17-12-5-3-4-11(15)7-12/h3-9,17H,2H2,1H3
InChIKeyRIXTZUOGXPNXSZ-UHFFFAOYSA-N
XLogP3.66
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-(3-chloroanilino)benzoate
CID 82535753
3-[(5-ethoxycarbonyl-3-pyridinyl)amino]benzoic acid
CID 82535045
ethyl 5-(3-acetylanilino)pyridine-3-carboxylate
CID 82535061
ethyl 5-(pyridin-4-ylamino)pyridine-3-carboxylate
CID 82535099
5-(3-chloroanilino)-N-(3-chlorophenyl)pyridine-3-carboxamide
CID 109244464
ethyl 3-amino-4-(3-chloroanilino)benzoate
CID 61307975
methyl 3-[[5-[(3-chlorophenyl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109244492
5-(3-chloroanilino)-N-ethyl-N-phenylpyridine-3-carboxamide
CID 109243553
ethyl 5-hydrazinylpyridine-3-carboxylate
CID 112757253
ethyl 5-[(2-methyl-1,3-dihydroisoindol-5-yl)amino]pyridine-3-carboxylate
CID 82535023
ethyl 2-(3-chloroanilino)benzoate
CID 70679381
ethyl 5-(tert-butylamino)pyridine-3-carboxylate
CID 82535159

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(3-chloroanilino)pyridine-3-carboxylate?
The IUPAC name of ethyl 5-(3-chloroanilino)pyridine-3-carboxylate (CID 82535073) is ethyl 5-(3-chloroanilino)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-(3-chloroanilino)pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-(3-chloroanilino)pyridine-3-carboxylate is CCOC(=O)c1cncc(Nc2cccc(Cl)c2)c1.
What is the InChIKey of ethyl 5-(3-chloroanilino)pyridine-3-carboxylate?
The InChIKey is RIXTZUOGXPNXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2/c1-2-19-14(18)10-6-13(9-16-8-10)17-12-5-3-4-11(15)7-12/h3-9,17H,2H2,1H3.
What are the key properties of ethyl 5-(3-chloroanilino)pyridine-3-carboxylate?
ethyl 5-(3-chloroanilino)pyridine-3-carboxylate has a molecular weight of 276.72 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(3-chloroanilino)pyridine-3-carboxylate is sourced from PubChem (CID 82535073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).