methyl 5-bromo-2-chloropyridine-4-carboxylate

C7H5BrClNO2 — CID 26966728

IUPACmethyl 5-bromo-2-chloropyridine-4-carboxylate
SMILESCOC(=O)c1cc(Cl)ncc1Br
InChIInChI=1S/C7H5BrClNO2/c1-12-7(11)4-2-6(9)10-3-5(4)8/h2-3H,1H3
InChIKeyZGVAWYBJGMOKBV-UHFFFAOYSA-N
MW250.48 g/mol
LogP2.28
Rot. Bonds1

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

methyl 5-bromo-2-chloropyridine-4-carboxylate (PubChem CID 26966728) has the molecular formula C7H5BrClNO2 and a molecular weight of 250.48 g/mol. Its IUPAC name is methyl 5-bromo-2-chloropyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-bromo-2-chloropyridine-4-carboxylate
PubChem CID26966728
Molecular FormulaC7H5BrClNO2
Molecular Weight250.48 g/mol
Exact Mass248.92
IUPAC Namemethyl 5-bromo-2-chloropyridine-4-carboxylate
SMILESCOC(=O)c1cc(Cl)ncc1Br
InChIInChI=1S/C7H5BrClNO2/c1-12-7(11)4-2-6(9)10-3-5(4)8/h2-3H,1H3
InChIKeyZGVAWYBJGMOKBV-UHFFFAOYSA-N
XLogP2.28
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.48
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

propan-2-yl 5-bromo-2-chloropyridine-4-carboxylate
CID 130572345
methyl 5-bromo-2-iodopyridine-4-carboxylate
CID 91667368
methyl 4-(5-bromo-2-chloro-4-pyridinyl)-6-methylpyridine-3-carboxylate
CID 166163179
N-acetyl-5-bromo-2-chloropyridine-4-carboxamide
CID 130572297
methyl 6-chloro-4-(methylamino)pyridine-3-carboxylate
CID 71512051
methyl 5-bromo-2-propan-2-yloxypyridine-4-carboxylate
CID 86723769
methyl 2-chloro-5-(trifluoromethoxy)pyridine-4-carboxylate
CID 133054057
methyl 5-bromo-2-(difluoromethoxy)pyridine-4-carboxylate
CID 138609183
methyl 5-bromo-2-cyclopropyloxypyridine-4-carboxylate
CID 154595238
5-bromo-2-chloro-N-(cyclopropylmethyl)pyridine-4-carboxamide
CID 130572235
5-bromo-N-but-3-yn-2-yl-2-chloropyridine-4-carboxamide
CID 130572324
2-[(5-bromo-2-chloropyridine-4-carbonyl)amino]acetic acid
CID 130572192

Frequently Asked Questions

What is the IUPAC name of methyl 5-bromo-2-chloropyridine-4-carboxylate?
The IUPAC name of methyl 5-bromo-2-chloropyridine-4-carboxylate (CID 26966728) is methyl 5-bromo-2-chloropyridine-4-carboxylate.
What is the SMILES notation for methyl 5-bromo-2-chloropyridine-4-carboxylate?
The canonical SMILES for methyl 5-bromo-2-chloropyridine-4-carboxylate is COC(=O)c1cc(Cl)ncc1Br.
What is the InChIKey of methyl 5-bromo-2-chloropyridine-4-carboxylate?
The InChIKey is ZGVAWYBJGMOKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrClNO2/c1-12-7(11)4-2-6(9)10-3-5(4)8/h2-3H,1H3.
What are the key properties of methyl 5-bromo-2-chloropyridine-4-carboxylate?
methyl 5-bromo-2-chloropyridine-4-carboxylate has a molecular weight of 250.48 g/mol, XLogP of 2.28, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-bromo-2-chloropyridine-4-carboxylate is sourced from PubChem (CID 26966728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).