methyl 5-[(6-chloropyridine-2-carbonyl)amino]-2-fluorobenzoate

C14H10ClFN2O3 — CID 62235265

IUPACmethyl 5-[(6-chloropyridine-2-carbonyl)amino]-2-fluorobenzoate
SMILESCOC(=O)c1cc(NC(=O)c2cccc(Cl)n2)ccc1F
InChIInChI=1S/C14H10ClFN2O3/c1-21-14(20)9-7-8(5-6-10(9)16)17-13(19)11-3-2-4-12(15)18-11/h2-7H,1H3,(H,17,19)
InChIKeyYVNYVASJGKHCSK-UHFFFAOYSA-N
MW308.70 g/mol
LogP2.91
Rot. Bonds3

About methyl 5-[(6-chloropyridine-2-carbonyl)amino]-2-fluorobenzoate

methyl 5-[(6-chloropyridine-2-carbonyl)amino]-2-fluorobenzoate (PubChem CID 62235265) has the molecular formula C14H10ClFN2O3 and a molecular weight of 308.70 g/mol. Its IUPAC name is methyl 5-[(6-chloropyridine-2-carbonyl)amino]-2-fluorobenzoate.

Molecular Properties

Compound Namemethyl 5-[(6-chloropyridine-2-carbonyl)amino]-2-fluorobenzoate
PubChem CID62235265
Molecular FormulaC14H10ClFN2O3
Molecular Weight308.70 g/mol
Exact Mass308.04
IUPAC Namemethyl 5-[(6-chloropyridine-2-carbonyl)amino]-2-fluorobenzoate
SMILESCOC(=O)c1cc(NC(=O)c2cccc(Cl)n2)ccc1F
InChIInChI=1S/C14H10ClFN2O3/c1-21-14(20)9-7-8(5-6-10(9)16)17-13(19)11-3-2-4-12(15)18-11/h2-7H,1H3,(H,17,19)
InChIKeyYVNYVASJGKHCSK-UHFFFAOYSA-N
XLogP2.91
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.70
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 5-[(6-chloropyridine-2-carbonyl)amino]-2-fluorobenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-fluoro-5-[(6-methylpyridine-2-carbonyl)amino]benzoate
CID 32709892
6-chloro-N-(3-hydroxy-4-methoxyphenyl)pyridine-2-carboxamide
CID 62234559
methyl 6-[(3-fluorophenyl)carbamoyl]pyridine-2-carboxylate
CID 3926848
methyl 5-[(2-chloroacetyl)amino]-2-fluorobenzoate
CID 43346810
6-N-(3,4-difluorophenyl)-2-N-(3-methoxyphenyl)pyridine-2,6-dicarboxamide
CID 109100953
methyl 2-fluoro-5-[(4-fluoro-1-benzothiophene-2-carbonyl)amino]benzoate
CID 30469108
methyl 5-[(2-chloro-2-fluoroacetyl)amino]-2-fluorobenzoate
CID 166427679
2-N-(3,4-difluorophenyl)-6-N-propan-2-ylpyridine-2,6-dicarboxamide
CID 109093804
methyl 3-[(6-fluoropyridine-2-carbonyl)amino]benzoate
CID 115496994
N-(3-acetamido-4-methylphenyl)-6-chloropyridine-2-carboxamide
CID 62235289
6-chloro-N-(3-iodophenyl)pyridine-2-carboxamide
CID 55052347
N-[3-(carbamoylamino)phenyl]-6-chloropyridine-2-carboxamide
CID 62234924

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(6-chloropyridine-2-carbonyl)amino]-2-fluorobenzoate?
The IUPAC name of methyl 5-[(6-chloropyridine-2-carbonyl)amino]-2-fluorobenzoate (CID 62235265) is methyl 5-[(6-chloropyridine-2-carbonyl)amino]-2-fluorobenzoate.
What is the SMILES notation for methyl 5-[(6-chloropyridine-2-carbonyl)amino]-2-fluorobenzoate?
The canonical SMILES for methyl 5-[(6-chloropyridine-2-carbonyl)amino]-2-fluorobenzoate is COC(=O)c1cc(NC(=O)c2cccc(Cl)n2)ccc1F.
What is the InChIKey of methyl 5-[(6-chloropyridine-2-carbonyl)amino]-2-fluorobenzoate?
The InChIKey is YVNYVASJGKHCSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN2O3/c1-21-14(20)9-7-8(5-6-10(9)16)17-13(19)11-3-2-4-12(15)18-11/h2-7H,1H3,(H,17,19).
What are the key properties of methyl 5-[(6-chloropyridine-2-carbonyl)amino]-2-fluorobenzoate?
methyl 5-[(6-chloropyridine-2-carbonyl)amino]-2-fluorobenzoate has a molecular weight of 308.70 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(6-chloropyridine-2-carbonyl)amino]-2-fluorobenzoate is sourced from PubChem (CID 62235265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).