3-bromo-5-[(3S)-3-(2-methylpropoxy)pentyl]pyridine

C14H22BrNO — CID 177207439

IUPAC3-bromo-5-[(3S)-3-(2-methylpropoxy)pentyl]pyridine
SMILESCC[C@@H](CCc1cncc(Br)c1)OCC(C)C
InChIInChI=1S/C14H22BrNO/c1-4-14(17-10-11(2)3)6-5-12-7-13(15)9-16-8-12/h7-9,11,14H,4-6,10H2,1-3H3/t14-/m0/s1
InChIKeyCFDUIRLXBHCXHT-AWEZNQCLSA-N
MW300.24 g/mol
LogP4.23
Rot. Bonds7

About 3-bromo-5-[(3S)-3-(2-methylpropoxy)pentyl]pyridine

3-bromo-5-[(3S)-3-(2-methylpropoxy)pentyl]pyridine (PubChem CID 177207439) has the molecular formula C14H22BrNO and a molecular weight of 300.24 g/mol. Its IUPAC name is 3-bromo-5-[(3S)-3-(2-methylpropoxy)pentyl]pyridine.

Molecular Properties

Compound Name3-bromo-5-[(3S)-3-(2-methylpropoxy)pentyl]pyridine
PubChem CID177207439
Molecular FormulaC14H22BrNO
Molecular Weight300.24 g/mol
Exact Mass299.09
IUPAC Name3-bromo-5-[(3S)-3-(2-methylpropoxy)pentyl]pyridine
SMILESCC[C@@H](CCc1cncc(Br)c1)OCC(C)C
InChIInChI=1S/C14H22BrNO/c1-4-14(17-10-11(2)3)6-5-12-7-13(15)9-16-8-12/h7-9,11,14H,4-6,10H2,1-3H3/t14-/m0/s1
InChIKeyCFDUIRLXBHCXHT-AWEZNQCLSA-N
XLogP4.23
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-5-(3-chloropentyl)pyridine
CID 104810096
3-bromo-5-(3-bromohexyl)pyridine
CID 104810133
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CID 104799822
4-(5-bromo-3-pyridinyl)-N-ethyl-1-methoxybutan-2-amine
CID 104800074
5-(5-bromo-3-pyridinyl)pentan-2-amine
CID 104811907
3-bromo-5-(3-methylbutan-2-yloxymethyl)pyridine
CID 104809934
3-bromo-5-[2-[2-[(2R)-2-phenylmethoxypropoxy]ethoxy]ethyl]pyridine
CID 165127705
5-(5-bromo-3-pyridinyl)-N-ethylpentan-2-amine
CID 104811963
N-[(5-bromo-3-pyridinyl)methyl]-N,2-dimethylpropan-1-amine
CID 115596591
6-(5-bromo-3-pyridinyl)-N-propylhexan-3-amine
CID 104812007
3-[(5-bromo-3-pyridinyl)methyl]-N-ethylpentan-2-amine
CID 104799912
3-(5-bromo-3-pyridinyl)-1-cyclopropyl-N-methylpropan-1-amine
CID 104800108

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-[(3S)-3-(2-methylpropoxy)pentyl]pyridine?
The IUPAC name of 3-bromo-5-[(3S)-3-(2-methylpropoxy)pentyl]pyridine (CID 177207439) is 3-bromo-5-[(3S)-3-(2-methylpropoxy)pentyl]pyridine.
What is the SMILES notation for 3-bromo-5-[(3S)-3-(2-methylpropoxy)pentyl]pyridine?
The canonical SMILES for 3-bromo-5-[(3S)-3-(2-methylpropoxy)pentyl]pyridine is CC[C@@H](CCc1cncc(Br)c1)OCC(C)C.
What is the InChIKey of 3-bromo-5-[(3S)-3-(2-methylpropoxy)pentyl]pyridine?
The InChIKey is CFDUIRLXBHCXHT-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H22BrNO/c1-4-14(17-10-11(2)3)6-5-12-7-13(15)9-16-8-12/h7-9,11,14H,4-6,10H2,1-3H3/t14-/m0/s1.
What are the key properties of 3-bromo-5-[(3S)-3-(2-methylpropoxy)pentyl]pyridine?
3-bromo-5-[(3S)-3-(2-methylpropoxy)pentyl]pyridine has a molecular weight of 300.24 g/mol, XLogP of 4.23, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-[(3S)-3-(2-methylpropoxy)pentyl]pyridine is sourced from PubChem (CID 177207439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).