5-bromo-2-[(2S)-2-cyclopropylpropyl]-4-methylpyridine

C12H16BrN — CID 159098732

IUPAC5-bromo-2-[(2S)-2-cyclopropylpropyl]-4-methylpyridine
SMILESCc1cc(C[C@H](C)C2CC2)ncc1Br
InChIInChI=1S/C12H16BrN/c1-8(10-3-4-10)5-11-6-9(2)12(13)7-14-11/h6-8,10H,3-5H2,1-2H3/t8-/m0/s1
InChIKeyKCZQYJVMSWLMMG-QMMMGPOBSA-N
MW254.17 g/mol
LogP3.74
Rot. Bonds3

About 5-bromo-2-[(2S)-2-cyclopropylpropyl]-4-methylpyridine

5-bromo-2-[(2S)-2-cyclopropylpropyl]-4-methylpyridine (PubChem CID 159098732) has the molecular formula C12H16BrN and a molecular weight of 254.17 g/mol. Its IUPAC name is 5-bromo-2-[(2S)-2-cyclopropylpropyl]-4-methylpyridine.

Molecular Properties

Compound Name5-bromo-2-[(2S)-2-cyclopropylpropyl]-4-methylpyridine
PubChem CID159098732
Molecular FormulaC12H16BrN
Molecular Weight254.17 g/mol
Exact Mass253.05
IUPAC Name5-bromo-2-[(2S)-2-cyclopropylpropyl]-4-methylpyridine
SMILESCc1cc(C[C@H](C)C2CC2)ncc1Br
InChIInChI=1S/C12H16BrN/c1-8(10-3-4-10)5-11-6-9(2)12(13)7-14-11/h6-8,10H,3-5H2,1-2H3/t8-/m0/s1
InChIKeyKCZQYJVMSWLMMG-QMMMGPOBSA-N
XLogP3.74
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.17
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(5-bromo-4-methyl-2-pyridinyl)-2-methylpropanoic acid
CID 83901573
5-bromo-N-(1-cyclopropylethyl)-4-methylpyridin-2-amine
CID 115773894
(2S)-2-amino-3-(5-bromo-4-methyl-2-pyridinyl)propanoic acid
CID 131053081
5-bromo-2-[(2,2-difluorocyclohexyl)methyl]-4-methylpyridine
CID 161196354
5-bromo-N-(1-cyclohexylethyl)-4-methylpyridin-2-amine
CID 114869260
5-bromo-2-[4-(1-bromoethyl)piperidin-1-yl]-4-methylpyridine
CID 106838653
3-[(5-bromo-4-methyl-2-pyridinyl)sulfanyl]butan-2-ol
CID 107771123
1-[(5-bromo-4-methyl-2-pyridinyl)methyl]piperazine
CID 83903383
5-bromo-N-(cyclopentylmethyl)-N,4-dimethylpyridin-2-amine
CID 114870435
5-bromo-N,4-dimethyl-N-(oxan-4-yl)pyridin-2-amine
CID 115774207
N'-(5-bromo-4-methyl-2-pyridinyl)-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 114870363
5-bromo-N,4-dimethyl-N-(4-methylpentyl)pyridin-2-amine
CID 115147221

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(2S)-2-cyclopropylpropyl]-4-methylpyridine?
The IUPAC name of 5-bromo-2-[(2S)-2-cyclopropylpropyl]-4-methylpyridine (CID 159098732) is 5-bromo-2-[(2S)-2-cyclopropylpropyl]-4-methylpyridine.
What is the SMILES notation for 5-bromo-2-[(2S)-2-cyclopropylpropyl]-4-methylpyridine?
The canonical SMILES for 5-bromo-2-[(2S)-2-cyclopropylpropyl]-4-methylpyridine is Cc1cc(C[C@H](C)C2CC2)ncc1Br.
What is the InChIKey of 5-bromo-2-[(2S)-2-cyclopropylpropyl]-4-methylpyridine?
The InChIKey is KCZQYJVMSWLMMG-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H16BrN/c1-8(10-3-4-10)5-11-6-9(2)12(13)7-14-11/h6-8,10H,3-5H2,1-2H3/t8-/m0/s1.
What are the key properties of 5-bromo-2-[(2S)-2-cyclopropylpropyl]-4-methylpyridine?
5-bromo-2-[(2S)-2-cyclopropylpropyl]-4-methylpyridine has a molecular weight of 254.17 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(2S)-2-cyclopropylpropyl]-4-methylpyridine is sourced from PubChem (CID 159098732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).