5-bromo-3-fluoro-2-methoxy-6-phenylmethoxypyridine

C13H11BrFNO2 — CID 67127321

IUPAC5-bromo-3-fluoro-2-methoxy-6-phenylmethoxypyridine
SMILESCOc1nc(OCc2ccccc2)c(Br)cc1F
InChIInChI=1S/C13H11BrFNO2/c1-17-13-11(15)7-10(14)12(16-13)18-8-9-5-3-2-4-6-9/h2-7H,8H2,1H3
InChIKeyWJVBKIFJCMQADX-UHFFFAOYSA-N
MW312.14 g/mol
LogP3.57
Rot. Bonds4

About 5-bromo-3-fluoro-2-methoxy-6-phenylmethoxypyridine

5-bromo-3-fluoro-2-methoxy-6-phenylmethoxypyridine (PubChem CID 67127321) has the molecular formula C13H11BrFNO2 and a molecular weight of 312.14 g/mol. Its IUPAC name is 5-bromo-3-fluoro-2-methoxy-6-phenylmethoxypyridine.

Molecular Properties

Compound Name5-bromo-3-fluoro-2-methoxy-6-phenylmethoxypyridine
PubChem CID67127321
Molecular FormulaC13H11BrFNO2
Molecular Weight312.14 g/mol
Exact Mass311.00
IUPAC Name5-bromo-3-fluoro-2-methoxy-6-phenylmethoxypyridine
SMILESCOc1nc(OCc2ccccc2)c(Br)cc1F
InChIInChI=1S/C13H11BrFNO2/c1-17-13-11(15)7-10(14)12(16-13)18-8-9-5-3-2-4-6-9/h2-7H,8H2,1H3
InChIKeyWJVBKIFJCMQADX-UHFFFAOYSA-N
XLogP3.57
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.14
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-6-iodo-2-phenylmethoxypyridine
CID 90076323
1-bromo-5-fluoro-4-methyl-2-phenylmethoxybenzene
CID 164894745
2-bromo-3-fluoro-6-methyl-5-phenylmethoxypyrazine
CID 122543842
2-fluoro-3,5-dimethyl-6-phenylmethoxypyridine
CID 144823733
2-methoxy-6-phenylmethoxypyridin-3-amine
CID 43261924
5-bromo-6-phenylmethoxypyridine-2,4-diamine
CID 25094363
2-methoxy-3-phenylmethoxyquinoline
CID 154390747
2-bromo-4-methoxy-6-phenylmethoxypyridine
CID 21471070
N,N-dibenzyl-6-bromo-5-fluoro-2-methoxypyridin-3-amine
CID 171619528
4,6-dimethoxy-2-phenylmethoxypyrimidine
CID 19977712
(2-bromo-6-fluoro-4-phenylmethoxyphenyl)boronic acid
CID 52987981
2-bromo-1,3-dimethoxy-5-phenylmethoxybenzene
CID 11186357

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-fluoro-2-methoxy-6-phenylmethoxypyridine?
The IUPAC name of 5-bromo-3-fluoro-2-methoxy-6-phenylmethoxypyridine (CID 67127321) is 5-bromo-3-fluoro-2-methoxy-6-phenylmethoxypyridine.
What is the SMILES notation for 5-bromo-3-fluoro-2-methoxy-6-phenylmethoxypyridine?
The canonical SMILES for 5-bromo-3-fluoro-2-methoxy-6-phenylmethoxypyridine is COc1nc(OCc2ccccc2)c(Br)cc1F.
What is the InChIKey of 5-bromo-3-fluoro-2-methoxy-6-phenylmethoxypyridine?
The InChIKey is WJVBKIFJCMQADX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrFNO2/c1-17-13-11(15)7-10(14)12(16-13)18-8-9-5-3-2-4-6-9/h2-7H,8H2,1H3.
What are the key properties of 5-bromo-3-fluoro-2-methoxy-6-phenylmethoxypyridine?
5-bromo-3-fluoro-2-methoxy-6-phenylmethoxypyridine has a molecular weight of 312.14 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-fluoro-2-methoxy-6-phenylmethoxypyridine is sourced from PubChem (CID 67127321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).