3-bromo-2-[(4-chlorophenyl)methoxy]-5-methylpyridine

C13H11BrClNO — CID 105368343

IUPAC3-bromo-2-[(4-chlorophenyl)methoxy]-5-methylpyridine
SMILESCc1cnc(OCc2ccc(Cl)cc2)c(Br)c1
InChIInChI=1S/C13H11BrClNO/c1-9-6-12(14)13(16-7-9)17-8-10-2-4-11(15)5-3-10/h2-7H,8H2,1H3
InChIKeyGATCOIWMDSLRRC-UHFFFAOYSA-N
MW312.59 g/mol
LogP4.38
Rot. Bonds3

About 3-bromo-2-[(4-chlorophenyl)methoxy]-5-methylpyridine

3-bromo-2-[(4-chlorophenyl)methoxy]-5-methylpyridine (PubChem CID 105368343) has the molecular formula C13H11BrClNO and a molecular weight of 312.59 g/mol. Its IUPAC name is 3-bromo-2-[(4-chlorophenyl)methoxy]-5-methylpyridine.

Molecular Properties

Compound Name3-bromo-2-[(4-chlorophenyl)methoxy]-5-methylpyridine
PubChem CID105368343
Molecular FormulaC13H11BrClNO
Molecular Weight312.59 g/mol
Exact Mass310.97
IUPAC Name3-bromo-2-[(4-chlorophenyl)methoxy]-5-methylpyridine
SMILESCc1cnc(OCc2ccc(Cl)cc2)c(Br)c1
InChIInChI=1S/C13H11BrClNO/c1-9-6-12(14)13(16-7-9)17-8-10-2-4-11(15)5-3-10/h2-7H,8H2,1H3
InChIKeyGATCOIWMDSLRRC-UHFFFAOYSA-N
XLogP4.38
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.59
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-6-[(4-chlorophenyl)methoxy]pyridin-3-amine
CID 79534403
3-bromo-2-(2-bromo-4-chlorophenoxy)-5-methylpyridine
CID 105368214
3-bromo-5-methyl-2-(thiophen-2-ylmethoxy)pyridine
CID 105368297
N-[[5-bromo-2-[(4-chlorophenyl)methoxy]-3-pyridinyl]methyl]ethanamine
CID 65125248
2,3-dichloro-5-[(3-chloro-5-methyl-2-pyridinyl)oxymethyl]pyridine
CID 58615529
3-bromo-5-methyl-2-(2-phenoxyethoxy)pyridine
CID 105368231
1-bromo-4-[(4-chlorophenyl)methoxy]-2-methylbenzene
CID 83133451
2-[(3-bromo-5-methyl-2-pyridinyl)oxy]-4-chlorobenzoic acid
CID 105368501
4-chloro-6-[(4-chlorophenyl)methoxy]-5-methylpyrimidine
CID 65126013
2-[(3-chlorophenyl)methoxy]-5-methylpyridin-3-amine
CID 66279132
3-bromo-2-(3,4-difluorophenoxy)-5-methylpyridine
CID 105368266
N-[[5-chloro-6-[(4-chlorophenyl)methoxy]-3-pyridinyl]methyl]propan-2-amine
CID 65125298

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-[(4-chlorophenyl)methoxy]-5-methylpyridine?
The IUPAC name of 3-bromo-2-[(4-chlorophenyl)methoxy]-5-methylpyridine (CID 105368343) is 3-bromo-2-[(4-chlorophenyl)methoxy]-5-methylpyridine.
What is the SMILES notation for 3-bromo-2-[(4-chlorophenyl)methoxy]-5-methylpyridine?
The canonical SMILES for 3-bromo-2-[(4-chlorophenyl)methoxy]-5-methylpyridine is Cc1cnc(OCc2ccc(Cl)cc2)c(Br)c1.
What is the InChIKey of 3-bromo-2-[(4-chlorophenyl)methoxy]-5-methylpyridine?
The InChIKey is GATCOIWMDSLRRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrClNO/c1-9-6-12(14)13(16-7-9)17-8-10-2-4-11(15)5-3-10/h2-7H,8H2,1H3.
What are the key properties of 3-bromo-2-[(4-chlorophenyl)methoxy]-5-methylpyridine?
3-bromo-2-[(4-chlorophenyl)methoxy]-5-methylpyridine has a molecular weight of 312.59 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-[(4-chlorophenyl)methoxy]-5-methylpyridine is sourced from PubChem (CID 105368343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).