ethyl 6-[(5-chloro-2-pyridinyl)carbamoyl]pyridine-2-carboxylate

C14H12ClN3O3 — CID 3928568

IUPACethyl 6-[(5-chloro-2-pyridinyl)carbamoyl]pyridine-2-carboxylate
SMILESCCOC(=O)c1cccc(C(=O)Nc2ccc(Cl)cn2)n1
InChIInChI=1S/C14H12ClN3O3/c1-2-21-14(20)11-5-3-4-10(17-11)13(19)18-12-7-6-9(15)8-16-12/h3-8H,2H2,1H3,(H,16,18,19)
InChIKeyASKQIHDACBMMPE-UHFFFAOYSA-N
MW305.72 g/mol
LogP2.56
Rot. Bonds4

About ethyl 6-[(5-chloro-2-pyridinyl)carbamoyl]pyridine-2-carboxylate

ethyl 6-[(5-chloro-2-pyridinyl)carbamoyl]pyridine-2-carboxylate (PubChem CID 3928568) has the molecular formula C14H12ClN3O3 and a molecular weight of 305.72 g/mol. Its IUPAC name is ethyl 6-[(5-chloro-2-pyridinyl)carbamoyl]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-[(5-chloro-2-pyridinyl)carbamoyl]pyridine-2-carboxylate
PubChem CID3928568
Molecular FormulaC14H12ClN3O3
Molecular Weight305.72 g/mol
Exact Mass305.06
IUPAC Nameethyl 6-[(5-chloro-2-pyridinyl)carbamoyl]pyridine-2-carboxylate
SMILESCCOC(=O)c1cccc(C(=O)Nc2ccc(Cl)cn2)n1
InChIInChI=1S/C14H12ClN3O3/c1-2-21-14(20)11-5-3-4-10(17-11)13(19)18-12-7-6-9(15)8-16-12/h3-8H,2H2,1H3,(H,16,18,19)
InChIKeyASKQIHDACBMMPE-UHFFFAOYSA-N
XLogP2.56
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.72
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-[(5-chloro-2-pyridinyl)carbamoyl]pyridine-2-carboxylate?
The IUPAC name of ethyl 6-[(5-chloro-2-pyridinyl)carbamoyl]pyridine-2-carboxylate (CID 3928568) is ethyl 6-[(5-chloro-2-pyridinyl)carbamoyl]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 6-[(5-chloro-2-pyridinyl)carbamoyl]pyridine-2-carboxylate?
The canonical SMILES for ethyl 6-[(5-chloro-2-pyridinyl)carbamoyl]pyridine-2-carboxylate is CCOC(=O)c1cccc(C(=O)Nc2ccc(Cl)cn2)n1.
What is the InChIKey of ethyl 6-[(5-chloro-2-pyridinyl)carbamoyl]pyridine-2-carboxylate?
The InChIKey is ASKQIHDACBMMPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O3/c1-2-21-14(20)11-5-3-4-10(17-11)13(19)18-12-7-6-9(15)8-16-12/h3-8H,2H2,1H3,(H,16,18,19).
What are the key properties of ethyl 6-[(5-chloro-2-pyridinyl)carbamoyl]pyridine-2-carboxylate?
ethyl 6-[(5-chloro-2-pyridinyl)carbamoyl]pyridine-2-carboxylate has a molecular weight of 305.72 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[(5-chloro-2-pyridinyl)carbamoyl]pyridine-2-carboxylate is sourced from PubChem (CID 3928568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).