1-butyl-4-chloro-2-methyl-2H-pyridine

C10H16ClN — CID 140707030

IUPAC1-butyl-4-chloro-2-methyl-2H-pyridine
SMILESCCCCN1C=CC(Cl)=CC1C
InChIInChI=1S/C10H16ClN/c1-3-4-6-12-7-5-10(11)8-9(12)2/h5,7-9H,3-4,6H2,1-2H3
InChIKeyYMYUEWXOMFBWOG-UHFFFAOYSA-N
MW185.70 g/mol
LogP3.13
Rot. Bonds3

About 1-butyl-4-chloro-2-methyl-2H-pyridine

1-butyl-4-chloro-2-methyl-2H-pyridine (PubChem CID 140707030) has the molecular formula C10H16ClN and a molecular weight of 185.70 g/mol. Its IUPAC name is 1-butyl-4-chloro-2-methyl-2H-pyridine.

Molecular Properties

Compound Name1-butyl-4-chloro-2-methyl-2H-pyridine
PubChem CID140707030
Molecular FormulaC10H16ClN
Molecular Weight185.70 g/mol
Exact Mass185.10
IUPAC Name1-butyl-4-chloro-2-methyl-2H-pyridine
SMILESCCCCN1C=CC(Cl)=CC1C
InChIInChI=1S/C10H16ClN/c1-3-4-6-12-7-5-10(11)8-9(12)2/h5,7-9H,3-4,6H2,1-2H3
InChIKeyYMYUEWXOMFBWOG-UHFFFAOYSA-N
XLogP3.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.70
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-chloro-2-methyl-2H-pyridine?
The IUPAC name of 1-butyl-4-chloro-2-methyl-2H-pyridine (CID 140707030) is 1-butyl-4-chloro-2-methyl-2H-pyridine.
What is the SMILES notation for 1-butyl-4-chloro-2-methyl-2H-pyridine?
The canonical SMILES for 1-butyl-4-chloro-2-methyl-2H-pyridine is CCCCN1C=CC(Cl)=CC1C.
What is the InChIKey of 1-butyl-4-chloro-2-methyl-2H-pyridine?
The InChIKey is YMYUEWXOMFBWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN/c1-3-4-6-12-7-5-10(11)8-9(12)2/h5,7-9H,3-4,6H2,1-2H3.
What are the key properties of 1-butyl-4-chloro-2-methyl-2H-pyridine?
1-butyl-4-chloro-2-methyl-2H-pyridine has a molecular weight of 185.70 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-chloro-2-methyl-2H-pyridine is sourced from PubChem (CID 140707030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).