methyl 6-(6-bromoindazol-1-yl)pyridine-2-carboxylate

C14H10BrN3O2 — CID 118664098

IUPACmethyl 6-(6-bromoindazol-1-yl)pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(-n2ncc3ccc(Br)cc32)n1
InChIInChI=1S/C14H10BrN3O2/c1-20-14(19)11-3-2-4-13(17-11)18-12-7-10(15)6-5-9(12)8-16-18/h2-8H,1H3
InChIKeyNUBMCSGEMSWWMJ-UHFFFAOYSA-N
MW332.16 g/mol
LogP2.97
Rot. Bonds2

About methyl 6-(6-bromoindazol-1-yl)pyridine-2-carboxylate

methyl 6-(6-bromoindazol-1-yl)pyridine-2-carboxylate (PubChem CID 118664098) has the molecular formula C14H10BrN3O2 and a molecular weight of 332.16 g/mol. Its IUPAC name is methyl 6-(6-bromoindazol-1-yl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(6-bromoindazol-1-yl)pyridine-2-carboxylate
PubChem CID118664098
Molecular FormulaC14H10BrN3O2
Molecular Weight332.16 g/mol
Exact Mass331.00
IUPAC Namemethyl 6-(6-bromoindazol-1-yl)pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(-n2ncc3ccc(Br)cc32)n1
InChIInChI=1S/C14H10BrN3O2/c1-20-14(19)11-3-2-4-13(17-11)18-12-7-10(15)6-5-9(12)8-16-18/h2-8H,1H3
InChIKeyNUBMCSGEMSWWMJ-UHFFFAOYSA-N
XLogP2.97
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.16
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 6-(6-bromoindazol-1-yl)pyridine-2-carboxylate?
The IUPAC name of methyl 6-(6-bromoindazol-1-yl)pyridine-2-carboxylate (CID 118664098) is methyl 6-(6-bromoindazol-1-yl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-(6-bromoindazol-1-yl)pyridine-2-carboxylate?
The canonical SMILES for methyl 6-(6-bromoindazol-1-yl)pyridine-2-carboxylate is COC(=O)c1cccc(-n2ncc3ccc(Br)cc32)n1.
What is the InChIKey of methyl 6-(6-bromoindazol-1-yl)pyridine-2-carboxylate?
The InChIKey is NUBMCSGEMSWWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN3O2/c1-20-14(19)11-3-2-4-13(17-11)18-12-7-10(15)6-5-9(12)8-16-18/h2-8H,1H3.
What are the key properties of methyl 6-(6-bromoindazol-1-yl)pyridine-2-carboxylate?
methyl 6-(6-bromoindazol-1-yl)pyridine-2-carboxylate has a molecular weight of 332.16 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(6-bromoindazol-1-yl)pyridine-2-carboxylate is sourced from PubChem (CID 118664098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).