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

C9H12ClNO2 — CID 143215962

IUPAC4-chloro-3-methylpyridine-2-carboxylic acid;ethane
SMILESCC.Cc1c(Cl)ccnc1C(=O)O
InChIInChI=1S/C7H6ClNO2.C2H6/c1-4-5(8)2-3-9-6(4)7(10)11;1-2/h2-3H,1H3,(H,10,11);1-2H3
InChIKeyMQNQOMZWQWHUIG-UHFFFAOYSA-N
MW201.65 g/mol
LogP2.77
Rot. Bonds1

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

4-chloro-3-methylpyridine-2-carboxylic acid;ethane (PubChem CID 143215962) has the molecular formula C9H12ClNO2 and a molecular weight of 201.65 g/mol. Its IUPAC name is 4-chloro-3-methylpyridine-2-carboxylic acid;ethane.

Molecular Properties

Compound Name4-chloro-3-methylpyridine-2-carboxylic acid;ethane
PubChem CID143215962
Molecular FormulaC9H12ClNO2
Molecular Weight201.65 g/mol
Exact Mass201.06
IUPAC Name4-chloro-3-methylpyridine-2-carboxylic acid;ethane
SMILESCC.Cc1c(Cl)ccnc1C(=O)O
InChIInChI=1S/C7H6ClNO2.C2H6/c1-4-5(8)2-3-9-6(4)7(10)11;1-2/h2-3H,1H3,(H,10,11);1-2H3
InChIKeyMQNQOMZWQWHUIG-UHFFFAOYSA-N
XLogP2.77
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.65
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-methylpyridine-2-carboxylic acid;ethane?
The IUPAC name of 4-chloro-3-methylpyridine-2-carboxylic acid;ethane (CID 143215962) is 4-chloro-3-methylpyridine-2-carboxylic acid;ethane.
What is the SMILES notation for 4-chloro-3-methylpyridine-2-carboxylic acid;ethane?
The canonical SMILES for 4-chloro-3-methylpyridine-2-carboxylic acid;ethane is CC.Cc1c(Cl)ccnc1C(=O)O.
What is the InChIKey of 4-chloro-3-methylpyridine-2-carboxylic acid;ethane?
The InChIKey is MQNQOMZWQWHUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClNO2.C2H6/c1-4-5(8)2-3-9-6(4)7(10)11;1-2/h2-3H,1H3,(H,10,11);1-2H3.
What are the key properties of 4-chloro-3-methylpyridine-2-carboxylic acid;ethane?
4-chloro-3-methylpyridine-2-carboxylic acid;ethane has a molecular weight of 201.65 g/mol, XLogP of 2.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-methylpyridine-2-carboxylic acid;ethane is sourced from PubChem (CID 143215962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).