4-chloropyridine-2-carboxylic acid;hydrochloride

C6H5Cl2NO2 — CID 67119944

IUPAC4-chloropyridine-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1cc(Cl)ccn1
InChIInChI=1S/C6H4ClNO2.ClH/c7-4-1-2-8-5(3-4)6(9)10;/h1-3H,(H,9,10);1H
InChIKeySZPWZVJHTRDNHG-UHFFFAOYSA-N
MW194.02 g/mol
LogP1.86
Rot. Bonds1

About 4-chloropyridine-2-carboxylic acid;hydrochloride

4-chloropyridine-2-carboxylic acid;hydrochloride (PubChem CID 67119944) has the molecular formula C6H5Cl2NO2 and a molecular weight of 194.02 g/mol. Its IUPAC name is 4-chloropyridine-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name4-chloropyridine-2-carboxylic acid;hydrochloride
PubChem CID67119944
Molecular FormulaC6H5Cl2NO2
Molecular Weight194.02 g/mol
Exact Mass192.97
IUPAC Name4-chloropyridine-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1cc(Cl)ccn1
InChIInChI=1S/C6H4ClNO2.ClH/c7-4-1-2-8-5(3-4)6(9)10;/h1-3H,(H,9,10);1H
InChIKeySZPWZVJHTRDNHG-UHFFFAOYSA-N
XLogP1.86
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.02
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloropyridine-2-carboxylic acid;hydrochloride?
The IUPAC name of 4-chloropyridine-2-carboxylic acid;hydrochloride (CID 67119944) is 4-chloropyridine-2-carboxylic acid;hydrochloride.
What is the SMILES notation for 4-chloropyridine-2-carboxylic acid;hydrochloride?
The canonical SMILES for 4-chloropyridine-2-carboxylic acid;hydrochloride is Cl.O=C(O)c1cc(Cl)ccn1.
What is the InChIKey of 4-chloropyridine-2-carboxylic acid;hydrochloride?
The InChIKey is SZPWZVJHTRDNHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClNO2.ClH/c7-4-1-2-8-5(3-4)6(9)10;/h1-3H,(H,9,10);1H.
What are the key properties of 4-chloropyridine-2-carboxylic acid;hydrochloride?
4-chloropyridine-2-carboxylic acid;hydrochloride has a molecular weight of 194.02 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloropyridine-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 67119944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).