butan-2-yl 2H-pyridine-1-carboxylate;hydrochloride

C10H16ClNO2 — CID 141284269

IUPACbutan-2-yl 2H-pyridine-1-carboxylate;hydrochloride
SMILESCCC(C)OC(=O)N1C=CC=CC1.Cl
InChIInChI=1S/C10H15NO2.ClH/c1-3-9(2)13-10(12)11-7-5-4-6-8-11;/h4-7,9H,3,8H2,1-2H3;1H
InChIKeyALMVCFIQNWYKRD-UHFFFAOYSA-N
MW217.70 g/mol
LogP2.73
Rot. Bonds2

About butan-2-yl 2H-pyridine-1-carboxylate;hydrochloride

butan-2-yl 2H-pyridine-1-carboxylate;hydrochloride (PubChem CID 141284269) has the molecular formula C10H16ClNO2 and a molecular weight of 217.70 g/mol. Its IUPAC name is butan-2-yl 2H-pyridine-1-carboxylate;hydrochloride.

Molecular Properties

Compound Namebutan-2-yl 2H-pyridine-1-carboxylate;hydrochloride
PubChem CID141284269
Molecular FormulaC10H16ClNO2
Molecular Weight217.70 g/mol
Exact Mass217.09
IUPAC Namebutan-2-yl 2H-pyridine-1-carboxylate;hydrochloride
SMILESCCC(C)OC(=O)N1C=CC=CC1.Cl
InChIInChI=1S/C10H15NO2.ClH/c1-3-9(2)13-10(12)11-7-5-4-6-8-11;/h4-7,9H,3,8H2,1-2H3;1H
InChIKeyALMVCFIQNWYKRD-UHFFFAOYSA-N
XLogP2.73
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.70
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of butan-2-yl 2H-pyridine-1-carboxylate;hydrochloride?
The IUPAC name of butan-2-yl 2H-pyridine-1-carboxylate;hydrochloride (CID 141284269) is butan-2-yl 2H-pyridine-1-carboxylate;hydrochloride.
What is the SMILES notation for butan-2-yl 2H-pyridine-1-carboxylate;hydrochloride?
The canonical SMILES for butan-2-yl 2H-pyridine-1-carboxylate;hydrochloride is CCC(C)OC(=O)N1C=CC=CC1.Cl.
What is the InChIKey of butan-2-yl 2H-pyridine-1-carboxylate;hydrochloride?
The InChIKey is ALMVCFIQNWYKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2.ClH/c1-3-9(2)13-10(12)11-7-5-4-6-8-11;/h4-7,9H,3,8H2,1-2H3;1H.
What are the key properties of butan-2-yl 2H-pyridine-1-carboxylate;hydrochloride?
butan-2-yl 2H-pyridine-1-carboxylate;hydrochloride has a molecular weight of 217.70 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yl 2H-pyridine-1-carboxylate;hydrochloride is sourced from PubChem (CID 141284269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).