methyl 3-bromo-6-chloro-4-[(2-chlorophenyl)methylamino]pyridine-2-carboxylate

C14H11BrCl2N2O2 — CID 87341700

IUPACmethyl 3-bromo-6-chloro-4-[(2-chlorophenyl)methylamino]pyridine-2-carboxylate
SMILESCOC(=O)c1nc(Cl)cc(NCc2ccccc2Cl)c1Br
InChIInChI=1S/C14H11BrCl2N2O2/c1-21-14(20)13-12(15)10(6-11(17)19-13)18-7-8-4-2-3-5-9(8)16/h2-6H,7H2,1H3,(H,18,19)
InChIKeyZGYPAMKLSFELSY-UHFFFAOYSA-N
MW390.06 g/mol
LogP4.55
Rot. Bonds4

About methyl 3-bromo-6-chloro-4-[(2-chlorophenyl)methylamino]pyridine-2-carboxylate

methyl 3-bromo-6-chloro-4-[(2-chlorophenyl)methylamino]pyridine-2-carboxylate (PubChem CID 87341700) has the molecular formula C14H11BrCl2N2O2 and a molecular weight of 390.06 g/mol. Its IUPAC name is methyl 3-bromo-6-chloro-4-[(2-chlorophenyl)methylamino]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-bromo-6-chloro-4-[(2-chlorophenyl)methylamino]pyridine-2-carboxylate
PubChem CID87341700
Molecular FormulaC14H11BrCl2N2O2
Molecular Weight390.06 g/mol
Exact Mass387.94
IUPAC Namemethyl 3-bromo-6-chloro-4-[(2-chlorophenyl)methylamino]pyridine-2-carboxylate
SMILESCOC(=O)c1nc(Cl)cc(NCc2ccccc2Cl)c1Br
InChIInChI=1S/C14H11BrCl2N2O2/c1-21-14(20)13-12(15)10(6-11(17)19-13)18-7-8-4-2-3-5-9(8)16/h2-6H,7H2,1H3,(H,18,19)
InChIKeyZGYPAMKLSFELSY-UHFFFAOYSA-N
XLogP4.55
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.06
LogP ≤ 54.55
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 3-bromo-6-chloro-4-[(2-methoxyphenyl)methylamino]pyridine-2-carboxylate
CID 87342361
methyl 6-chloro-4-[(2,6-dichlorophenyl)methylamino]-3-ethenylpyridine-2-carboxylate
CID 87340428
methyl 2-[(2-chlorophenyl)methylamino]benzoate
CID 43087858
methyl 6-chloro-3-ethenyl-4-[(2-nitrophenyl)methylamino]pyridine-2-carboxylate
CID 87341303
methyl 5-acetyl-2-[(2-chlorophenyl)methylamino]-1,3-thiazole-4-carboxylate
CID 106696757
methyl 2-[(4-bromo-2-chloroanilino)methyl]benzoate
CID 43774895
methyl 6-chloro-3-methyl-4-(thiophen-2-ylmethylamino)pyridine-2-carboxylate
CID 90839890
2-[2-[(2-chlorophenyl)methylamino]phenyl]-2-methylpropanoic acid
CID 110452184
2-bromo-5-chloro-N-[(2-chlorophenyl)methyl]-4-methylaniline
CID 104722481
5-bromo-N-[(2-chlorophenyl)methyl]-2-methylaniline
CID 43729443
methyl 4-[[4-[(2-chlorophenyl)methylamino]-6-methylpyrimidin-2-yl]amino]benzoate
CID 112917833
2-[2-[(2-chlorophenyl)methylamino]phenyl]acetamide
CID 43738427

Frequently Asked Questions

What is the IUPAC name of methyl 3-bromo-6-chloro-4-[(2-chlorophenyl)methylamino]pyridine-2-carboxylate?
The IUPAC name of methyl 3-bromo-6-chloro-4-[(2-chlorophenyl)methylamino]pyridine-2-carboxylate (CID 87341700) is methyl 3-bromo-6-chloro-4-[(2-chlorophenyl)methylamino]pyridine-2-carboxylate.
What is the SMILES notation for methyl 3-bromo-6-chloro-4-[(2-chlorophenyl)methylamino]pyridine-2-carboxylate?
The canonical SMILES for methyl 3-bromo-6-chloro-4-[(2-chlorophenyl)methylamino]pyridine-2-carboxylate is COC(=O)c1nc(Cl)cc(NCc2ccccc2Cl)c1Br.
What is the InChIKey of methyl 3-bromo-6-chloro-4-[(2-chlorophenyl)methylamino]pyridine-2-carboxylate?
The InChIKey is ZGYPAMKLSFELSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrCl2N2O2/c1-21-14(20)13-12(15)10(6-11(17)19-13)18-7-8-4-2-3-5-9(8)16/h2-6H,7H2,1H3,(H,18,19).
What are the key properties of methyl 3-bromo-6-chloro-4-[(2-chlorophenyl)methylamino]pyridine-2-carboxylate?
methyl 3-bromo-6-chloro-4-[(2-chlorophenyl)methylamino]pyridine-2-carboxylate has a molecular weight of 390.06 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-bromo-6-chloro-4-[(2-chlorophenyl)methylamino]pyridine-2-carboxylate is sourced from PubChem (CID 87341700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).