3,5-dibromo-2-methyl-6-[phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine

C17H18Br2N2O — CID 66752922

IUPAC3,5-dibromo-2-methyl-6-[phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine
SMILESCc1nc(OC(c2ccccc2)[C@H]2CCNC2)c(Br)cc1Br
InChIInChI=1S/C17H18Br2N2O/c1-11-14(18)9-15(19)17(21-11)22-16(13-7-8-20-10-13)12-5-3-2-4-6-12/h2-6,9,13,16,20H,7-8,10H2,1H3/t13-,16?/m0/s1
InChIKeyRDALJFJSMHGYEX-KNVGNIICSA-N
MW426.15 g/mol
LogP4.64
Rot. Bonds4

About 3,5-dibromo-2-methyl-6-[phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine

3,5-dibromo-2-methyl-6-[phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine (PubChem CID 66752922) has the molecular formula C17H18Br2N2O and a molecular weight of 426.15 g/mol. Its IUPAC name is 3,5-dibromo-2-methyl-6-[phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine.

Molecular Properties

Compound Name3,5-dibromo-2-methyl-6-[phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine
PubChem CID66752922
Molecular FormulaC17H18Br2N2O
Molecular Weight426.15 g/mol
Exact Mass423.98
IUPAC Name3,5-dibromo-2-methyl-6-[phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine
SMILESCc1nc(OC(c2ccccc2)[C@H]2CCNC2)c(Br)cc1Br
InChIInChI=1S/C17H18Br2N2O/c1-11-14(18)9-15(19)17(21-11)22-16(13-7-8-20-10-13)12-5-3-2-4-6-12/h2-6,9,13,16,20H,7-8,10H2,1H3/t13-,16?/m0/s1
InChIKeyRDALJFJSMHGYEX-KNVGNIICSA-N
XLogP4.64
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.15
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-3-methyl-2-[phenyl(pyrrolidin-3-yl)methoxy]pyridine
CID 77226165
2,3,5-trifluoro-6-[(R)-phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine
CID 46946622
2,3,5-trifluoro-6-[phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine
CID 66753077
5-chloro-3-methyl-2-[(R)-phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine
CID 59544002
5-bromo-2-[phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine
CID 66752109
(3S)-3-[(R)-(2-methylphenoxy)-phenylmethyl]pyrrolidine
CID 71562371
3,5-dichloro-2-[(S)-phenyl-[(3R)-pyrrolidin-3-yl]methoxy]pyridine
CID 66752614
3,5-dichloro-2-[phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine
CID 66753028
2-[(S)-phenyl(pyrrolidin-3-yl)methoxy]pyridine
CID 66752187
2-fluoro-6-[(S)-phenyl-[(3R)-pyrrolidin-3-yl]methoxy]pyridine
CID 66752580
2,4-dichloro-3,5-difluoro-6-[(S)-phenyl(pyrrolidin-3-yl)methoxy]pyridine
CID 87135446
2-methyl-5-[(R)-phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine
CID 66752347

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-2-methyl-6-[phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine?
The IUPAC name of 3,5-dibromo-2-methyl-6-[phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine (CID 66752922) is 3,5-dibromo-2-methyl-6-[phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine.
What is the SMILES notation for 3,5-dibromo-2-methyl-6-[phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine?
The canonical SMILES for 3,5-dibromo-2-methyl-6-[phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine is Cc1nc(OC(c2ccccc2)[C@H]2CCNC2)c(Br)cc1Br.
What is the InChIKey of 3,5-dibromo-2-methyl-6-[phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine?
The InChIKey is RDALJFJSMHGYEX-KNVGNIICSA-N. The full InChI is InChI=1S/C17H18Br2N2O/c1-11-14(18)9-15(19)17(21-11)22-16(13-7-8-20-10-13)12-5-3-2-4-6-12/h2-6,9,13,16,20H,7-8,10H2,1H3/t13-,16?/m0/s1.
What are the key properties of 3,5-dibromo-2-methyl-6-[phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine?
3,5-dibromo-2-methyl-6-[phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine has a molecular weight of 426.15 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-2-methyl-6-[phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine is sourced from PubChem (CID 66752922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).