4-chloropyridine-2-carboxylic acid;dihydrochloride

C6H6Cl3NO2 — CID 174449778

IUPAC4-chloropyridine-2-carboxylic acid;dihydrochloride
SMILESCl.Cl.O=C(O)c1cc(Cl)ccn1
InChIInChI=1S/C6H4ClNO2.2ClH/c7-4-1-2-8-5(3-4)6(9)10;;/h1-3H,(H,9,10);2*1H
InChIKeyCQRBKVUUCJTORH-UHFFFAOYSA-N
MW230.48 g/mol
LogP2.28
Rot. Bonds1

About 4-chloropyridine-2-carboxylic acid;dihydrochloride

4-chloropyridine-2-carboxylic acid;dihydrochloride (PubChem CID 174449778) has the molecular formula C6H6Cl3NO2 and a molecular weight of 230.48 g/mol. Its IUPAC name is 4-chloropyridine-2-carboxylic acid;dihydrochloride.

Molecular Properties

Compound Name4-chloropyridine-2-carboxylic acid;dihydrochloride
PubChem CID174449778
Molecular FormulaC6H6Cl3NO2
Molecular Weight230.48 g/mol
Exact Mass228.95
IUPAC Name4-chloropyridine-2-carboxylic acid;dihydrochloride
SMILESCl.Cl.O=C(O)c1cc(Cl)ccn1
InChIInChI=1S/C6H4ClNO2.2ClH/c7-4-1-2-8-5(3-4)6(9)10;;/h1-3H,(H,9,10);2*1H
InChIKeyCQRBKVUUCJTORH-UHFFFAOYSA-N
XLogP2.28
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.48
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-chloropyridine-2-carboxylic acid;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-chloropyridine-2-carbonyl)carbamic acid
CID 174620541
4-chloro-N-hydroxypyridine-2-carboxamide
CID 83381234
1-(4-chloro-2-pyridinyl)-2,2-dimethylpropan-1-one
CID 140918459
4-carbonochloridoylpyridine-2-carboxylic acid
CID 156640763
4-(2,5-dichlorophenoxy)pyridine-2-carboxylic acid
CID 43325991
4-(5-chloro-2-fluoroanilino)pyridine-2-carboxylic acid
CID 43438570
4-chloropyridine-2-carboxylic acid;ethanol;ethyl N-(4-chloro-2-pyridinyl)carbamate
CID 157211318
4-formylpyridine-2-carboxylic acid;hydrochloride
CID 146082186
4-chloro-N-[2-[(4-chloropyridine-2-carbonyl)amino]phenyl]pyridine-2-carboxamide
CID 102274363
3-[(4-chloropyridine-2-carbonyl)amino]pyridine-2-carboxylic acid
CID 104740156
[(2S)-1-(4-chloro-2-pyridinyl)-1-oxopropan-2-yl]carbamic acid
CID 68589066
hydrazine;pyridine-2,4-dicarboxylic acid
CID 71369189

Frequently Asked Questions

What is the IUPAC name of 4-chloropyridine-2-carboxylic acid;dihydrochloride?
The IUPAC name of 4-chloropyridine-2-carboxylic acid;dihydrochloride (CID 174449778) is 4-chloropyridine-2-carboxylic acid;dihydrochloride.
What is the SMILES notation for 4-chloropyridine-2-carboxylic acid;dihydrochloride?
The canonical SMILES for 4-chloropyridine-2-carboxylic acid;dihydrochloride is Cl.Cl.O=C(O)c1cc(Cl)ccn1.
What is the InChIKey of 4-chloropyridine-2-carboxylic acid;dihydrochloride?
The InChIKey is CQRBKVUUCJTORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClNO2.2ClH/c7-4-1-2-8-5(3-4)6(9)10;;/h1-3H,(H,9,10);2*1H.
What are the key properties of 4-chloropyridine-2-carboxylic acid;dihydrochloride?
4-chloropyridine-2-carboxylic acid;dihydrochloride has a molecular weight of 230.48 g/mol, XLogP of 2.28, 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;dihydrochloride is sourced from PubChem (CID 174449778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).