methyl 6-bromo-4-pyridin-2-ylquinoline-2-carboxylate

C16H11BrN2O2 — CID 141467629

IUPACmethyl 6-bromo-4-pyridin-2-ylquinoline-2-carboxylate
SMILESCOC(=O)c1cc(-c2ccccn2)c2cc(Br)ccc2n1
InChIInChI=1S/C16H11BrN2O2/c1-21-16(20)15-9-12(13-4-2-3-7-18-13)11-8-10(17)5-6-14(11)19-15/h2-9H,1H3
InChIKeyZJIHGIJCQGKEQA-UHFFFAOYSA-N
MW343.18 g/mol
LogP3.85
Rot. Bonds2

About methyl 6-bromo-4-pyridin-2-ylquinoline-2-carboxylate

methyl 6-bromo-4-pyridin-2-ylquinoline-2-carboxylate (PubChem CID 141467629) has the molecular formula C16H11BrN2O2 and a molecular weight of 343.18 g/mol. Its IUPAC name is methyl 6-bromo-4-pyridin-2-ylquinoline-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-bromo-4-pyridin-2-ylquinoline-2-carboxylate
PubChem CID141467629
Molecular FormulaC16H11BrN2O2
Molecular Weight343.18 g/mol
Exact Mass342.00
IUPAC Namemethyl 6-bromo-4-pyridin-2-ylquinoline-2-carboxylate
SMILESCOC(=O)c1cc(-c2ccccn2)c2cc(Br)ccc2n1
InChIInChI=1S/C16H11BrN2O2/c1-21-16(20)15-9-12(13-4-2-3-7-18-13)11-8-10(17)5-6-14(11)19-15/h2-9H,1H3
InChIKeyZJIHGIJCQGKEQA-UHFFFAOYSA-N
XLogP3.85
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.18
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 6-bromo-4-pyridin-2-ylquinoline-2-carboxylate?
The IUPAC name of methyl 6-bromo-4-pyridin-2-ylquinoline-2-carboxylate (CID 141467629) is methyl 6-bromo-4-pyridin-2-ylquinoline-2-carboxylate.
What is the SMILES notation for methyl 6-bromo-4-pyridin-2-ylquinoline-2-carboxylate?
The canonical SMILES for methyl 6-bromo-4-pyridin-2-ylquinoline-2-carboxylate is COC(=O)c1cc(-c2ccccn2)c2cc(Br)ccc2n1.
What is the InChIKey of methyl 6-bromo-4-pyridin-2-ylquinoline-2-carboxylate?
The InChIKey is ZJIHGIJCQGKEQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrN2O2/c1-21-16(20)15-9-12(13-4-2-3-7-18-13)11-8-10(17)5-6-14(11)19-15/h2-9H,1H3.
What are the key properties of methyl 6-bromo-4-pyridin-2-ylquinoline-2-carboxylate?
methyl 6-bromo-4-pyridin-2-ylquinoline-2-carboxylate has a molecular weight of 343.18 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-bromo-4-pyridin-2-ylquinoline-2-carboxylate is sourced from PubChem (CID 141467629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).