(5-bromo-3-chloro-2-pyridinyl) cyclopropanecarboxylate

C9H7BrClNO2 — CID 151605885

IUPAC(5-bromo-3-chloro-2-pyridinyl) cyclopropanecarboxylate
SMILESO=C(Oc1ncc(Br)cc1Cl)C1CC1
InChIInChI=1S/C9H7BrClNO2/c10-6-3-7(11)8(12-4-6)14-9(13)5-1-2-5/h3-5H,1-2H2
InChIKeyQLLNJNVNWMNDFT-UHFFFAOYSA-N
MW276.52 g/mol
LogP2.81
Rot. Bonds2

About (5-bromo-3-chloro-2-pyridinyl) cyclopropanecarboxylate

(5-bromo-3-chloro-2-pyridinyl) cyclopropanecarboxylate (PubChem CID 151605885) has the molecular formula C9H7BrClNO2 and a molecular weight of 276.52 g/mol. Its IUPAC name is (5-bromo-3-chloro-2-pyridinyl) cyclopropanecarboxylate.

Molecular Properties

Compound Name(5-bromo-3-chloro-2-pyridinyl) cyclopropanecarboxylate
PubChem CID151605885
Molecular FormulaC9H7BrClNO2
Molecular Weight276.52 g/mol
Exact Mass274.93
IUPAC Name(5-bromo-3-chloro-2-pyridinyl) cyclopropanecarboxylate
SMILESO=C(Oc1ncc(Br)cc1Cl)C1CC1
InChIInChI=1S/C9H7BrClNO2/c10-6-3-7(11)8(12-4-6)14-9(13)5-1-2-5/h3-5H,1-2H2
InChIKeyQLLNJNVNWMNDFT-UHFFFAOYSA-N
XLogP2.81
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.52
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[(5-bromo-3-chloro-2-pyridinyl)amino]cyclohexane-1-carboxylate
CID 103583959
(5-bromo-2-chloro-3-pyridinyl)-cyclopropylmethanone
CID 119054666
(2,4,5-trichlorophenyl) cyclopropanecarboxylate
CID 91694706
(5-bromo-2-pyridinyl) piperidine-4-carboxylate
CID 153380500
5-bromo-3-chloro-2-ethoxypyridine
CID 71303680
[5-bromo-2-(dimethylamino)-3-pyridinyl]methyl cyclopropanecarboxylate
CID 166293900
(5-bromo-3-chloro-2-pyridinyl) ethanesulfonate
CID 118080132
1-(5-bromo-3-chloro-2-pyridinyl)propan-1-one
CID 174823193
(2,4-dibromophenyl) cyclopropanecarboxylate
CID 836257
3-[(5-bromo-3-chloro-2-pyridinyl)oxy]cyclohexan-1-amine
CID 103583993
(4-bromo-2-pyridinyl) cyclobutanecarboxylate
CID 175605072
5-bromo-3-chloro-2-[(1-methylcyclopropyl)methoxy]pyridine
CID 118193954

Frequently Asked Questions

What is the IUPAC name of (5-bromo-3-chloro-2-pyridinyl) cyclopropanecarboxylate?
The IUPAC name of (5-bromo-3-chloro-2-pyridinyl) cyclopropanecarboxylate (CID 151605885) is (5-bromo-3-chloro-2-pyridinyl) cyclopropanecarboxylate.
What is the SMILES notation for (5-bromo-3-chloro-2-pyridinyl) cyclopropanecarboxylate?
The canonical SMILES for (5-bromo-3-chloro-2-pyridinyl) cyclopropanecarboxylate is O=C(Oc1ncc(Br)cc1Cl)C1CC1.
What is the InChIKey of (5-bromo-3-chloro-2-pyridinyl) cyclopropanecarboxylate?
The InChIKey is QLLNJNVNWMNDFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrClNO2/c10-6-3-7(11)8(12-4-6)14-9(13)5-1-2-5/h3-5H,1-2H2.
What are the key properties of (5-bromo-3-chloro-2-pyridinyl) cyclopropanecarboxylate?
(5-bromo-3-chloro-2-pyridinyl) cyclopropanecarboxylate has a molecular weight of 276.52 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-3-chloro-2-pyridinyl) cyclopropanecarboxylate is sourced from PubChem (CID 151605885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).