5-chloro-1-methyl-2-propan-2-yl-2H-pyridine

C9H14ClN — CID 163834677

IUPAC5-chloro-1-methyl-2-propan-2-yl-2H-pyridine
SMILESCC(C)C1C=CC(Cl)=CN1C
InChIInChI=1S/C9H14ClN/c1-7(2)9-5-4-8(10)6-11(9)3/h4-7,9H,1-3H3
InChIKeyOGSAIKFMDQAZBK-UHFFFAOYSA-N
MW171.67 g/mol
LogP2.59
Rot. Bonds1

About 5-chloro-1-methyl-2-propan-2-yl-2H-pyridine

5-chloro-1-methyl-2-propan-2-yl-2H-pyridine (PubChem CID 163834677) has the molecular formula C9H14ClN and a molecular weight of 171.67 g/mol. Its IUPAC name is 5-chloro-1-methyl-2-propan-2-yl-2H-pyridine.

Molecular Properties

Compound Name5-chloro-1-methyl-2-propan-2-yl-2H-pyridine
PubChem CID163834677
Molecular FormulaC9H14ClN
Molecular Weight171.67 g/mol
Exact Mass171.08
IUPAC Name5-chloro-1-methyl-2-propan-2-yl-2H-pyridine
SMILESCC(C)C1C=CC(Cl)=CN1C
InChIInChI=1S/C9H14ClN/c1-7(2)9-5-4-8(10)6-11(9)3/h4-7,9H,1-3H3
InChIKeyOGSAIKFMDQAZBK-UHFFFAOYSA-N
XLogP2.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.67
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-methyl-2-propan-2-yl-2H-pyridine?
The IUPAC name of 5-chloro-1-methyl-2-propan-2-yl-2H-pyridine (CID 163834677) is 5-chloro-1-methyl-2-propan-2-yl-2H-pyridine.
What is the SMILES notation for 5-chloro-1-methyl-2-propan-2-yl-2H-pyridine?
The canonical SMILES for 5-chloro-1-methyl-2-propan-2-yl-2H-pyridine is CC(C)C1C=CC(Cl)=CN1C.
What is the InChIKey of 5-chloro-1-methyl-2-propan-2-yl-2H-pyridine?
The InChIKey is OGSAIKFMDQAZBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN/c1-7(2)9-5-4-8(10)6-11(9)3/h4-7,9H,1-3H3.
What are the key properties of 5-chloro-1-methyl-2-propan-2-yl-2H-pyridine?
5-chloro-1-methyl-2-propan-2-yl-2H-pyridine has a molecular weight of 171.67 g/mol, XLogP of 2.59, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-methyl-2-propan-2-yl-2H-pyridine is sourced from PubChem (CID 163834677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).