methyl 2-[(6-chloropyridine-3-carbonyl)amino]benzoate

C14H11ClN2O3 — CID 18273877

IUPACmethyl 2-[(6-chloropyridine-3-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1ccc(Cl)nc1
InChIInChI=1S/C14H11ClN2O3/c1-20-14(19)10-4-2-3-5-11(10)17-13(18)9-6-7-12(15)16-8-9/h2-8H,1H3,(H,17,18)
InChIKeyPFXDUCQTYSRSKG-UHFFFAOYSA-N
MW290.71 g/mol
LogP2.77
Rot. Bonds3

About methyl 2-[(6-chloropyridine-3-carbonyl)amino]benzoate

methyl 2-[(6-chloropyridine-3-carbonyl)amino]benzoate (PubChem CID 18273877) has the molecular formula C14H11ClN2O3 and a molecular weight of 290.71 g/mol. Its IUPAC name is methyl 2-[(6-chloropyridine-3-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[(6-chloropyridine-3-carbonyl)amino]benzoate
PubChem CID18273877
Molecular FormulaC14H11ClN2O3
Molecular Weight290.71 g/mol
Exact Mass290.05
IUPAC Namemethyl 2-[(6-chloropyridine-3-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1ccc(Cl)nc1
InChIInChI=1S/C14H11ClN2O3/c1-20-14(19)10-4-2-3-5-11(10)17-13(18)9-6-7-12(15)16-8-9/h2-8H,1H3,(H,17,18)
InChIKeyPFXDUCQTYSRSKG-UHFFFAOYSA-N
XLogP2.77
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.71
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-chloro-N-(2-methylphenyl)pyridine-3-carboxamide
CID 2599141
methyl 2-(pyridazine-4-carbonylamino)benzoate
CID 112706538
methyl 2-[[6-(4-propan-2-ylanilino)pyridine-3-carbonyl]amino]benzoate
CID 109163056
methyl 2-[[2-(propan-2-ylamino)pyrimidine-5-carbonyl]amino]benzoate
CID 109247207
6-chloro-N-[2-(hydroxymethyl)phenyl]pyridine-3-carboxamide
CID 60655184
methyl 2-[[5-[(2-methoxyphenyl)carbamoyl]-2-pyridinyl]amino]benzoate
CID 109163904
6-chloro-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 36661694
methyl 2-[[4-(phenylcarbamoyl)benzoyl]amino]benzoate
CID 109049254
methyl 2-[(2-chloropyridine-3-carbonyl)amino]benzoate
CID 4051547
[5-[(2-methoxycarbonylphenyl)carbamoyl]pyrimidin-2-yl]methanesulfinate
CID 174368425
methyl 2-[[6-[(4-fluorophenyl)methylamino]pyridine-3-carbonyl]amino]benzoate
CID 109156658
methyl 2-[[6-(3-acetylanilino)pyridine-3-carbonyl]amino]benzoate
CID 109164458

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(6-chloropyridine-3-carbonyl)amino]benzoate?
The IUPAC name of methyl 2-[(6-chloropyridine-3-carbonyl)amino]benzoate (CID 18273877) is methyl 2-[(6-chloropyridine-3-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 2-[(6-chloropyridine-3-carbonyl)amino]benzoate?
The canonical SMILES for methyl 2-[(6-chloropyridine-3-carbonyl)amino]benzoate is COC(=O)c1ccccc1NC(=O)c1ccc(Cl)nc1.
What is the InChIKey of methyl 2-[(6-chloropyridine-3-carbonyl)amino]benzoate?
The InChIKey is PFXDUCQTYSRSKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O3/c1-20-14(19)10-4-2-3-5-11(10)17-13(18)9-6-7-12(15)16-8-9/h2-8H,1H3,(H,17,18).
What are the key properties of methyl 2-[(6-chloropyridine-3-carbonyl)amino]benzoate?
methyl 2-[(6-chloropyridine-3-carbonyl)amino]benzoate has a molecular weight of 290.71 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(6-chloropyridine-3-carbonyl)amino]benzoate is sourced from PubChem (CID 18273877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).