4-tert-butylpyridine-2-carboxylic acid;hydrochloride

C10H14ClNO2 — CID 14482381

IUPAC4-tert-butylpyridine-2-carboxylic acid;hydrochloride
SMILESCC(C)(C)c1ccnc(C(=O)O)c1.Cl
InChIInChI=1S/C10H13NO2.ClH/c1-10(2,3)7-4-5-11-8(6-7)9(12)13;/h4-6H,1-3H3,(H,12,13);1H
InChIKeyXPWCKHRFHCBIJA-UHFFFAOYSA-N
MW215.68 g/mol
LogP2.50
Rot. Bonds1

About 4-tert-butylpyridine-2-carboxylic acid;hydrochloride

4-tert-butylpyridine-2-carboxylic acid;hydrochloride (PubChem CID 14482381) has the molecular formula C10H14ClNO2 and a molecular weight of 215.68 g/mol. Its IUPAC name is 4-tert-butylpyridine-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name4-tert-butylpyridine-2-carboxylic acid;hydrochloride
PubChem CID14482381
Molecular FormulaC10H14ClNO2
Molecular Weight215.68 g/mol
Exact Mass215.07
IUPAC Name4-tert-butylpyridine-2-carboxylic acid;hydrochloride
SMILESCC(C)(C)c1ccnc(C(=O)O)c1.Cl
InChIInChI=1S/C10H13NO2.ClH/c1-10(2,3)7-4-5-11-8(6-7)9(12)13;/h4-6H,1-3H3,(H,12,13);1H
InChIKeyXPWCKHRFHCBIJA-UHFFFAOYSA-N
XLogP2.50
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Quinolinic Acid
CID 1066
Fusaric Acid
CID 3442
Picolinic acid
CID 1018
2,5-Pyridinedicarboxylic acid
CID 7493
2,4-Pyridinedicarboxylic acid
CID 10365
Isoquinoline-3-carboxylic acid
CID 124656
5-(Methoxycarbonyl)pyridine-2-carboxylic acid
CID 314992
5-Ethylquinolinic acid
CID 113606
Diethyl 2,4-pyridinedicarboxylate
CID 170509
Phenopicolinic acid
CID 3043792
2-Carboxy-3-pyridineacetic acid
CID 3080554
4-Chloropyridine-2-carboxylic acid
CID 230890

Frequently Asked Questions

What is the IUPAC name of 4-tert-butylpyridine-2-carboxylic acid;hydrochloride?
The IUPAC name of 4-tert-butylpyridine-2-carboxylic acid;hydrochloride (CID 14482381) is 4-tert-butylpyridine-2-carboxylic acid;hydrochloride.
What is the SMILES notation for 4-tert-butylpyridine-2-carboxylic acid;hydrochloride?
The canonical SMILES for 4-tert-butylpyridine-2-carboxylic acid;hydrochloride is CC(C)(C)c1ccnc(C(=O)O)c1.Cl.
What is the InChIKey of 4-tert-butylpyridine-2-carboxylic acid;hydrochloride?
The InChIKey is XPWCKHRFHCBIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2.ClH/c1-10(2,3)7-4-5-11-8(6-7)9(12)13;/h4-6H,1-3H3,(H,12,13);1H.
What are the key properties of 4-tert-butylpyridine-2-carboxylic acid;hydrochloride?
4-tert-butylpyridine-2-carboxylic acid;hydrochloride has a molecular weight of 215.68 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butylpyridine-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 14482381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).