1-butyl-2H-pyridine;hydrochloride

C9H16ClN — CID 141072734

IUPAC1-butyl-2H-pyridine;hydrochloride
SMILESCCCCN1C=CC=CC1.Cl
InChIInChI=1S/C9H15N.ClH/c1-2-3-7-10-8-5-4-6-9-10;/h4-6,8H,2-3,7,9H2,1H3;1H
InChIKeyIPHBBZWQWUFXGR-UHFFFAOYSA-N
MW173.69 g/mol
LogP2.59
Rot. Bonds3

About 1-butyl-2H-pyridine;hydrochloride

1-butyl-2H-pyridine;hydrochloride (PubChem CID 141072734) has the molecular formula C9H16ClN and a molecular weight of 173.69 g/mol. Its IUPAC name is 1-butyl-2H-pyridine;hydrochloride.

Molecular Properties

Compound Name1-butyl-2H-pyridine;hydrochloride
PubChem CID141072734
Molecular FormulaC9H16ClN
Molecular Weight173.69 g/mol
Exact Mass173.10
IUPAC Name1-butyl-2H-pyridine;hydrochloride
SMILESCCCCN1C=CC=CC1.Cl
InChIInChI=1S/C9H15N.ClH/c1-2-3-7-10-8-5-4-6-9-10;/h4-6,8H,2-3,7,9H2,1H3;1H
InChIKeyIPHBBZWQWUFXGR-UHFFFAOYSA-N
XLogP2.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.69
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

aluminum;1-butyl-2H-pyridine;trichloride
CID 175194807
1-octyl-2H-pyridine;hydrochloride
CID 69369892
1-hexyl-2H-pyridine;hydrochloride
CID 141192021
1-butyl-2H-pyridine;hydron;tetrafluoroborate
CID 174529026
CID 175065585
CID 175065585
1-hexadecyl-2H-pyridine;nitric acid
CID 14178863
1-dodecyl-2H-pyridine;1-hexadecylpyridin-1-ium;bis(1-tetradecylpyridin-1-ium);dibromide;chloride;hydrochloride
CID 174994990
1-butyl-2H-pyridine;2,2,2-trifluoro-N-(trifluoromethylsulfonyl)acetamide
CID 175716542
1-butyl-2H-pyridine;2-octylpyridine
CID 175452133
5-(2H-pyridin-1-yl)pentanoic acid
CID 151955101
1-ethyl-2H-pyridine;tetrafluorophosphanium
CID 161069901
1,3-dibutyl-2H-imidazole;hydrobromide
CID 170561230

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2H-pyridine;hydrochloride?
The IUPAC name of 1-butyl-2H-pyridine;hydrochloride (CID 141072734) is 1-butyl-2H-pyridine;hydrochloride.
What is the SMILES notation for 1-butyl-2H-pyridine;hydrochloride?
The canonical SMILES for 1-butyl-2H-pyridine;hydrochloride is CCCCN1C=CC=CC1.Cl.
What is the InChIKey of 1-butyl-2H-pyridine;hydrochloride?
The InChIKey is IPHBBZWQWUFXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N.ClH/c1-2-3-7-10-8-5-4-6-9-10;/h4-6,8H,2-3,7,9H2,1H3;1H.
What are the key properties of 1-butyl-2H-pyridine;hydrochloride?
1-butyl-2H-pyridine;hydrochloride has a molecular weight of 173.69 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2H-pyridine;hydrochloride is sourced from PubChem (CID 141072734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).