5-bromo-2-[2-chloro-4-(cyclopropylmethoxy)phenoxy]-4-methylpyridine

C16H15BrClNO2 — CID 118344313

IUPAC5-bromo-2-[2-chloro-4-(cyclopropylmethoxy)phenoxy]-4-methylpyridine
SMILESCc1cc(Oc2ccc(OCC3CC3)cc2Cl)ncc1Br
InChIInChI=1S/C16H15BrClNO2/c1-10-6-16(19-8-13(10)17)21-15-5-4-12(7-14(15)18)20-9-11-2-3-11/h4-8,11H,2-3,9H2,1H3
InChIKeyXGORIQFBOSFXHV-UHFFFAOYSA-N
MW368.66 g/mol
LogP5.39
Rot. Bonds5

About 5-bromo-2-[2-chloro-4-(cyclopropylmethoxy)phenoxy]-4-methylpyridine

5-bromo-2-[2-chloro-4-(cyclopropylmethoxy)phenoxy]-4-methylpyridine (PubChem CID 118344313) has the molecular formula C16H15BrClNO2 and a molecular weight of 368.66 g/mol. Its IUPAC name is 5-bromo-2-[2-chloro-4-(cyclopropylmethoxy)phenoxy]-4-methylpyridine.

Molecular Properties

Compound Name5-bromo-2-[2-chloro-4-(cyclopropylmethoxy)phenoxy]-4-methylpyridine
PubChem CID118344313
Molecular FormulaC16H15BrClNO2
Molecular Weight368.66 g/mol
Exact Mass367.00
IUPAC Name5-bromo-2-[2-chloro-4-(cyclopropylmethoxy)phenoxy]-4-methylpyridine
SMILESCc1cc(Oc2ccc(OCC3CC3)cc2Cl)ncc1Br
InChIInChI=1S/C16H15BrClNO2/c1-10-6-16(19-8-13(10)17)21-15-5-4-12(7-14(15)18)20-9-11-2-3-11/h4-8,11H,2-3,9H2,1H3
InChIKeyXGORIQFBOSFXHV-UHFFFAOYSA-N
XLogP5.39
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.66
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[2-chloro-4-(cyclopropylmethoxy)phenoxy]-4-methylpyridine?
The IUPAC name of 5-bromo-2-[2-chloro-4-(cyclopropylmethoxy)phenoxy]-4-methylpyridine (CID 118344313) is 5-bromo-2-[2-chloro-4-(cyclopropylmethoxy)phenoxy]-4-methylpyridine.
What is the SMILES notation for 5-bromo-2-[2-chloro-4-(cyclopropylmethoxy)phenoxy]-4-methylpyridine?
The canonical SMILES for 5-bromo-2-[2-chloro-4-(cyclopropylmethoxy)phenoxy]-4-methylpyridine is Cc1cc(Oc2ccc(OCC3CC3)cc2Cl)ncc1Br.
What is the InChIKey of 5-bromo-2-[2-chloro-4-(cyclopropylmethoxy)phenoxy]-4-methylpyridine?
The InChIKey is XGORIQFBOSFXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClNO2/c1-10-6-16(19-8-13(10)17)21-15-5-4-12(7-14(15)18)20-9-11-2-3-11/h4-8,11H,2-3,9H2,1H3.
What are the key properties of 5-bromo-2-[2-chloro-4-(cyclopropylmethoxy)phenoxy]-4-methylpyridine?
5-bromo-2-[2-chloro-4-(cyclopropylmethoxy)phenoxy]-4-methylpyridine has a molecular weight of 368.66 g/mol, XLogP of 5.39, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[2-chloro-4-(cyclopropylmethoxy)phenoxy]-4-methylpyridine is sourced from PubChem (CID 118344313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).