5-chloro-2-methylpyridin-1-ium-3-carboxylic acid chloride

C7H7Cl2NO2 — CID 91927853

IUPAC5-chloro-2-methylpyridin-1-ium-3-carboxylic acid chloride
SMILESCc1[nH+]cc(Cl)cc1C(=O)O.[Cl-]
InChIInChI=1S/C7H6ClNO2.ClH/c1-4-6(7(10)11)2-5(8)3-9-4;/h2-3H,1H3,(H,10,11);1H
InChIKeyVPOCRKJETPYAGO-UHFFFAOYSA-N
MW208.04 g/mol
LogP-1.84
Rot. Bonds1

About 5-chloro-2-methylpyridin-1-ium-3-carboxylic acid chloride

5-chloro-2-methylpyridin-1-ium-3-carboxylic acid chloride (PubChem CID 91927853) has the molecular formula C7H7Cl2NO2 and a molecular weight of 208.04 g/mol. Its IUPAC name is 5-chloro-2-methylpyridin-1-ium-3-carboxylic acid chloride.

Molecular Properties

Compound Name5-chloro-2-methylpyridin-1-ium-3-carboxylic acid chloride
PubChem CID91927853
Molecular FormulaC7H7Cl2NO2
Molecular Weight208.04 g/mol
Exact Mass206.99
IUPAC Name5-chloro-2-methylpyridin-1-ium-3-carboxylic acid chloride
SMILESCc1[nH+]cc(Cl)cc1C(=O)O.[Cl-]
InChIInChI=1S/C7H6ClNO2.ClH/c1-4-6(7(10)11)2-5(8)3-9-4;/h2-3H,1H3,(H,10,11);1H
InChIKeyVPOCRKJETPYAGO-UHFFFAOYSA-N
XLogP-1.84
TPSA51.44 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.04
LogP ≤ 5-1.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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4-chloro-2-(4-chloro-2-methylphenyl)benzoic acid
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2-acetyl-5-chlorobenzoic acid
CID 11229391
4-chloro-2-methylbenzoic acid;ethane
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3-acetamido-5-chloro-2-hydroxybenzoic acid
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5-chloro-2-sulfanylidene-1H-pyridine-3-carboxylic acid
CID 145411084
4-chloro-5,6-dimethylbenzene-1,3-dicarboxylic acid
CID 174519549
5-chloro-2-methylselanylbenzoic acid
CID 88718588
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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methylpyridin-1-ium-3-carboxylic acid chloride?
The IUPAC name of 5-chloro-2-methylpyridin-1-ium-3-carboxylic acid chloride (CID 91927853) is 5-chloro-2-methylpyridin-1-ium-3-carboxylic acid chloride.
What is the SMILES notation for 5-chloro-2-methylpyridin-1-ium-3-carboxylic acid chloride?
The canonical SMILES for 5-chloro-2-methylpyridin-1-ium-3-carboxylic acid chloride is Cc1[nH+]cc(Cl)cc1C(=O)O.[Cl-].
What is the InChIKey of 5-chloro-2-methylpyridin-1-ium-3-carboxylic acid chloride?
The InChIKey is VPOCRKJETPYAGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClNO2.ClH/c1-4-6(7(10)11)2-5(8)3-9-4;/h2-3H,1H3,(H,10,11);1H.
What are the key properties of 5-chloro-2-methylpyridin-1-ium-3-carboxylic acid chloride?
5-chloro-2-methylpyridin-1-ium-3-carboxylic acid chloride has a molecular weight of 208.04 g/mol, XLogP of -1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methylpyridin-1-ium-3-carboxylic acid chloride is sourced from PubChem (CID 91927853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).