4-chloro-2-methylpyridine-3-carboxylic acid;hydrochloride

C7H7Cl2NO2 — CID 155943900

IUPAC4-chloro-2-methylpyridine-3-carboxylic acid;hydrochloride
SMILESCc1nccc(Cl)c1C(=O)O.Cl
InChIInChI=1S/C7H6ClNO2.ClH/c1-4-6(7(10)11)5(8)2-3-9-4;/h2-3H,1H3,(H,10,11);1H
InChIKeyMDNWILMCQDTOSW-UHFFFAOYSA-N
MW208.04 g/mol
LogP2.16
Rot. Bonds1

About 4-chloro-2-methylpyridine-3-carboxylic acid;hydrochloride

4-chloro-2-methylpyridine-3-carboxylic acid;hydrochloride (PubChem CID 155943900) has the molecular formula C7H7Cl2NO2 and a molecular weight of 208.04 g/mol. Its IUPAC name is 4-chloro-2-methylpyridine-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name4-chloro-2-methylpyridine-3-carboxylic acid;hydrochloride
PubChem CID155943900
Molecular FormulaC7H7Cl2NO2
Molecular Weight208.04 g/mol
Exact Mass206.99
IUPAC Name4-chloro-2-methylpyridine-3-carboxylic acid;hydrochloride
SMILESCc1nccc(Cl)c1C(=O)O.Cl
InChIInChI=1S/C7H6ClNO2.ClH/c1-4-6(7(10)11)5(8)2-3-9-4;/h2-3H,1H3,(H,10,11);1H
InChIKeyMDNWILMCQDTOSW-UHFFFAOYSA-N
XLogP2.16
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.04
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Nicotinic Acid
CID 938
6-Chloronicotinic acid
CID 79222
2-Chloronicotinic acid
CID 76258
3-Pyridinecarboxylic acid, 4-(trifluoromethyl)-
CID 2777549
2-Chloroisonicotinic acid
CID 236985
2-Chloro-4,6-dimethylpyridine-3-carboxylic acid
CID 591127
3-Pyridinecarboxylic acid, hydrochloride (1:1)
CID 71558
Trigonelline Hydrochloride
CID 134606
2,6-Dichloronicotinic acid
CID 854047
5-Chloronicotinic acid
CID 247986
2,6-Dichloro-4-methylpyridine-3-carboxylic acid
CID 676121
2-Acetyl-3-pyridinecarboxylic acid
CID 10176278

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methylpyridine-3-carboxylic acid;hydrochloride?
The IUPAC name of 4-chloro-2-methylpyridine-3-carboxylic acid;hydrochloride (CID 155943900) is 4-chloro-2-methylpyridine-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 4-chloro-2-methylpyridine-3-carboxylic acid;hydrochloride?
The canonical SMILES for 4-chloro-2-methylpyridine-3-carboxylic acid;hydrochloride is Cc1nccc(Cl)c1C(=O)O.Cl.
What is the InChIKey of 4-chloro-2-methylpyridine-3-carboxylic acid;hydrochloride?
The InChIKey is MDNWILMCQDTOSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClNO2.ClH/c1-4-6(7(10)11)5(8)2-3-9-4;/h2-3H,1H3,(H,10,11);1H.
What are the key properties of 4-chloro-2-methylpyridine-3-carboxylic acid;hydrochloride?
4-chloro-2-methylpyridine-3-carboxylic acid;hydrochloride has a molecular weight of 208.04 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methylpyridine-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 155943900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).