3-(4-chloro-2-methylpentan-2-yl)-5-methylpyridine

C12H18ClN — CID 115375381

IUPAC3-(4-chloro-2-methylpentan-2-yl)-5-methylpyridine
SMILESCc1cncc(C(C)(C)CC(C)Cl)c1
InChIInChI=1S/C12H18ClN/c1-9-5-11(8-14-7-9)12(3,4)6-10(2)13/h5,7-8,10H,6H2,1-4H3
InChIKeyQPSRGZDXGRJAKN-UHFFFAOYSA-N
MW211.74 g/mol
LogP3.69
Rot. Bonds3

About 3-(4-chloro-2-methylpentan-2-yl)-5-methylpyridine

3-(4-chloro-2-methylpentan-2-yl)-5-methylpyridine (PubChem CID 115375381) has the molecular formula C12H18ClN and a molecular weight of 211.74 g/mol. Its IUPAC name is 3-(4-chloro-2-methylpentan-2-yl)-5-methylpyridine.

Molecular Properties

Compound Name3-(4-chloro-2-methylpentan-2-yl)-5-methylpyridine
PubChem CID115375381
Molecular FormulaC12H18ClN
Molecular Weight211.74 g/mol
Exact Mass211.11
IUPAC Name3-(4-chloro-2-methylpentan-2-yl)-5-methylpyridine
SMILESCc1cncc(C(C)(C)CC(C)Cl)c1
InChIInChI=1S/C12H18ClN/c1-9-5-11(8-14-7-9)12(3,4)6-10(2)13/h5,7-8,10H,6H2,1-4H3
InChIKeyQPSRGZDXGRJAKN-UHFFFAOYSA-N
XLogP3.69
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.74
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-methyl-4-(5-methyl-3-pyridinyl)pentan-2-ol
CID 115375350
5-(4-chloro-2-methylpentan-2-yl)-2-methylpyridine
CID 64717476
3-(4-chloro-2-methylpentan-2-yl)-5-methylpyridin-2-amine
CID 64716420
2-(5-methyl-3-pyridinyl)-1-(propan-2-ylamino)propan-2-ol
CID 115375580
(2R)-2-amino-2-(5-methyl-3-pyridinyl)propan-1-ol
CID 130987369
3-methyl-5-(trifluoromethyl)pyridine
CID 143745835
2-(5-methyl-3-pyridinyl)-4-(propan-2-ylamino)butan-2-ol
CID 115375573
3-methyl-5-(3-methylhexan-3-yl)pyridine
CID 126590839
3-methyl-5-(2-nitrosopropan-2-yl)pyridine
CID 134423592
1-methoxy-2-(5-methyl-3-pyridinyl)propan-2-amine
CID 115373850
4-amino-2-(5-methyl-3-pyridinyl)butan-2-ol
CID 115375569
1,1,1-trifluoro-2-(5-methyl-3-pyridinyl)propan-2-ol
CID 123237942

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-2-methylpentan-2-yl)-5-methylpyridine?
The IUPAC name of 3-(4-chloro-2-methylpentan-2-yl)-5-methylpyridine (CID 115375381) is 3-(4-chloro-2-methylpentan-2-yl)-5-methylpyridine.
What is the SMILES notation for 3-(4-chloro-2-methylpentan-2-yl)-5-methylpyridine?
The canonical SMILES for 3-(4-chloro-2-methylpentan-2-yl)-5-methylpyridine is Cc1cncc(C(C)(C)CC(C)Cl)c1.
What is the InChIKey of 3-(4-chloro-2-methylpentan-2-yl)-5-methylpyridine?
The InChIKey is QPSRGZDXGRJAKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN/c1-9-5-11(8-14-7-9)12(3,4)6-10(2)13/h5,7-8,10H,6H2,1-4H3.
What are the key properties of 3-(4-chloro-2-methylpentan-2-yl)-5-methylpyridine?
3-(4-chloro-2-methylpentan-2-yl)-5-methylpyridine has a molecular weight of 211.74 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-2-methylpentan-2-yl)-5-methylpyridine is sourced from PubChem (CID 115375381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).