methyl 6-chloro-4-(5-chloro-2-methylanilino)pyridine-3-carboxylate

C14H12Cl2N2O2 — CID 118431050

IUPACmethyl 6-chloro-4-(5-chloro-2-methylanilino)pyridine-3-carboxylate
SMILESCOC(=O)c1cnc(Cl)cc1Nc1cc(Cl)ccc1C
InChIInChI=1S/C14H12Cl2N2O2/c1-8-3-4-9(15)5-11(8)18-12-6-13(16)17-7-10(12)14(19)20-2/h3-7H,1-2H3,(H,17,18)
InChIKeyABDROTOKVPLCPO-UHFFFAOYSA-N
MW311.17 g/mol
LogP4.23
Rot. Bonds3

About methyl 6-chloro-4-(5-chloro-2-methylanilino)pyridine-3-carboxylate

methyl 6-chloro-4-(5-chloro-2-methylanilino)pyridine-3-carboxylate (PubChem CID 118431050) has the molecular formula C14H12Cl2N2O2 and a molecular weight of 311.17 g/mol. Its IUPAC name is methyl 6-chloro-4-(5-chloro-2-methylanilino)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-chloro-4-(5-chloro-2-methylanilino)pyridine-3-carboxylate
PubChem CID118431050
Molecular FormulaC14H12Cl2N2O2
Molecular Weight311.17 g/mol
Exact Mass310.03
IUPAC Namemethyl 6-chloro-4-(5-chloro-2-methylanilino)pyridine-3-carboxylate
SMILESCOC(=O)c1cnc(Cl)cc1Nc1cc(Cl)ccc1C
InChIInChI=1S/C14H12Cl2N2O2/c1-8-3-4-9(15)5-11(8)18-12-6-13(16)17-7-10(12)14(19)20-2/h3-7H,1-2H3,(H,17,18)
InChIKeyABDROTOKVPLCPO-UHFFFAOYSA-N
XLogP4.23
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.17
LogP ≤ 54.23
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

methyl 6-chloro-4-(methylamino)pyridine-3-carboxylate
CID 71512051
methyl 4-[[6-(5-chloro-2-methylanilino)pyridine-3-carbonyl]amino]benzoate
CID 109163584
methyl 3-[(7-chloroquinolin-4-yl)amino]-4-methylbenzoate
CID 172907299
methyl 6-chloro-4-[[(1S,2S)-2-(3-chlorophenyl)cyclopropanecarbonyl]amino]pyridine-3-carboxylate
CID 165134483
N-(5-chloro-2-methylphenyl)-2-methoxy-4-methylpyrimidine-5-carboxamide
CID 53337921
6-chloro-4-(4-fluoro-2-methylanilino)pyridine-3-carboxylic acid
CID 164529757
methyl 2-[[2-[(5-chloro-2-methylphenyl)carbamoyl]-4-pyridinyl]amino]benzoate
CID 109221157
ethyl 6-chloro-4-(methylamino)pyridine-3-carboxylate
CID 20627001
ethyl 4-(5-chloro-2-methylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 19258435
methyl 5-bromo-2-chloropyridine-4-carboxylate
CID 26966728
methyl 2-acetamido-4-chlorobenzoate
CID 2800203
tert-butyl 4-(4-bromo-2-chloroanilino)-6-chloropyridine-3-carboxylate
CID 86596778

Frequently Asked Questions

What is the IUPAC name of methyl 6-chloro-4-(5-chloro-2-methylanilino)pyridine-3-carboxylate?
The IUPAC name of methyl 6-chloro-4-(5-chloro-2-methylanilino)pyridine-3-carboxylate (CID 118431050) is methyl 6-chloro-4-(5-chloro-2-methylanilino)pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-chloro-4-(5-chloro-2-methylanilino)pyridine-3-carboxylate?
The canonical SMILES for methyl 6-chloro-4-(5-chloro-2-methylanilino)pyridine-3-carboxylate is COC(=O)c1cnc(Cl)cc1Nc1cc(Cl)ccc1C.
What is the InChIKey of methyl 6-chloro-4-(5-chloro-2-methylanilino)pyridine-3-carboxylate?
The InChIKey is ABDROTOKVPLCPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O2/c1-8-3-4-9(15)5-11(8)18-12-6-13(16)17-7-10(12)14(19)20-2/h3-7H,1-2H3,(H,17,18).
What are the key properties of methyl 6-chloro-4-(5-chloro-2-methylanilino)pyridine-3-carboxylate?
methyl 6-chloro-4-(5-chloro-2-methylanilino)pyridine-3-carboxylate has a molecular weight of 311.17 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-chloro-4-(5-chloro-2-methylanilino)pyridine-3-carboxylate is sourced from PubChem (CID 118431050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).