methyl 5-bromo-2-cyclopropylpyridine-4-carboxylate

C10H10BrNO2 — CID 131385454

IUPACmethyl 5-bromo-2-cyclopropylpyridine-4-carboxylate
SMILESCOC(=O)c1cc(C2CC2)ncc1Br
InChIInChI=1S/C10H10BrNO2/c1-14-10(13)7-4-9(6-2-3-6)12-5-8(7)11/h4-6H,2-3H2,1H3
InChIKeyJJZSVHBWGYNQRV-UHFFFAOYSA-N
MW256.10 g/mol
LogP2.51
Rot. Bonds2

About methyl 5-bromo-2-cyclopropylpyridine-4-carboxylate

methyl 5-bromo-2-cyclopropylpyridine-4-carboxylate (PubChem CID 131385454) has the molecular formula C10H10BrNO2 and a molecular weight of 256.10 g/mol. Its IUPAC name is methyl 5-bromo-2-cyclopropylpyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-bromo-2-cyclopropylpyridine-4-carboxylate
PubChem CID131385454
Molecular FormulaC10H10BrNO2
Molecular Weight256.10 g/mol
Exact Mass254.99
IUPAC Namemethyl 5-bromo-2-cyclopropylpyridine-4-carboxylate
SMILESCOC(=O)c1cc(C2CC2)ncc1Br
InChIInChI=1S/C10H10BrNO2/c1-14-10(13)7-4-9(6-2-3-6)12-5-8(7)11/h4-6H,2-3H2,1H3
InChIKeyJJZSVHBWGYNQRV-UHFFFAOYSA-N
XLogP2.51
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.10
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 5-bromo-2-cyclopropylpyridine-4-carboxylate?
The IUPAC name of methyl 5-bromo-2-cyclopropylpyridine-4-carboxylate (CID 131385454) is methyl 5-bromo-2-cyclopropylpyridine-4-carboxylate.
What is the SMILES notation for methyl 5-bromo-2-cyclopropylpyridine-4-carboxylate?
The canonical SMILES for methyl 5-bromo-2-cyclopropylpyridine-4-carboxylate is COC(=O)c1cc(C2CC2)ncc1Br.
What is the InChIKey of methyl 5-bromo-2-cyclopropylpyridine-4-carboxylate?
The InChIKey is JJZSVHBWGYNQRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO2/c1-14-10(13)7-4-9(6-2-3-6)12-5-8(7)11/h4-6H,2-3H2,1H3.
What are the key properties of methyl 5-bromo-2-cyclopropylpyridine-4-carboxylate?
methyl 5-bromo-2-cyclopropylpyridine-4-carboxylate has a molecular weight of 256.10 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-bromo-2-cyclopropylpyridine-4-carboxylate is sourced from PubChem (CID 131385454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).