5-chloro-2-(3-ethyl-4-pyridinyl)pyrimidine-4-carboxylic acid

C12H10ClN3O2 — CID 106511963

IUPAC5-chloro-2-(3-ethyl-4-pyridinyl)pyrimidine-4-carboxylic acid
SMILESCCc1cnccc1-c1ncc(Cl)c(C(=O)O)n1
InChIInChI=1S/C12H10ClN3O2/c1-2-7-5-14-4-3-8(7)11-15-6-9(13)10(16-11)12(17)18/h3-6H,2H2,1H3,(H,17,18)
InChIKeyHZSLLVRHPBSHRB-UHFFFAOYSA-N
MW263.68 g/mol
LogP2.45
Rot. Bonds3

About 5-chloro-2-(3-ethyl-4-pyridinyl)pyrimidine-4-carboxylic acid

5-chloro-2-(3-ethyl-4-pyridinyl)pyrimidine-4-carboxylic acid (PubChem CID 106511963) has the molecular formula C12H10ClN3O2 and a molecular weight of 263.68 g/mol. Its IUPAC name is 5-chloro-2-(3-ethyl-4-pyridinyl)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name5-chloro-2-(3-ethyl-4-pyridinyl)pyrimidine-4-carboxylic acid
PubChem CID106511963
Molecular FormulaC12H10ClN3O2
Molecular Weight263.68 g/mol
Exact Mass263.05
IUPAC Name5-chloro-2-(3-ethyl-4-pyridinyl)pyrimidine-4-carboxylic acid
SMILESCCc1cnccc1-c1ncc(Cl)c(C(=O)O)n1
InChIInChI=1S/C12H10ClN3O2/c1-2-7-5-14-4-3-8(7)11-15-6-9(13)10(16-11)12(17)18/h3-6H,2H2,1H3,(H,17,18)
InChIKeyHZSLLVRHPBSHRB-UHFFFAOYSA-N
XLogP2.45
TPSA75.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.68
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-ethyl-4-pyridinyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-4-carboxylic acid
CID 114742965
ethyl 2-(3-ethyl-4-pyridinyl)pyrimidine-4-carboxylate
CID 114204873
5-chloro-2-(3,4-dichlorophenyl)pyrimidine-4-carboxylic acid
CID 82168579
5-chloro-2-(4-propan-2-ylphenyl)pyrimidine-4-carboxylic acid
CID 106511897
5-chloro-2-(pyridin-4-ylmethylsulfanyl)pyrimidine-4-carboxylic acid
CID 16772623
3-chloro-6-(3-ethyl-4-pyridinyl)pyridazine
CID 23320788
5-chloro-2-(3-fluoro-4-methylphenyl)pyrimidine-4-carboxylic acid
CID 106511978
2-(5-bromofuran-2-yl)-5-chloropyrimidine-4-carboxylic acid
CID 82168601
5-chloro-2-phenyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 166322102
5-chloro-2-[(4-chlorophenyl)methylsulfanyl]pyrimidine-4-carboxylic acid
CID 16772454
5-chloro-4-ethylpyridine-2-carboxylic acid
CID 82405973
5-chloro-2-[(4-methoxyphenyl)methyl]pyrimidine-4-carboxylic acid
CID 82168616

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(3-ethyl-4-pyridinyl)pyrimidine-4-carboxylic acid?
The IUPAC name of 5-chloro-2-(3-ethyl-4-pyridinyl)pyrimidine-4-carboxylic acid (CID 106511963) is 5-chloro-2-(3-ethyl-4-pyridinyl)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 5-chloro-2-(3-ethyl-4-pyridinyl)pyrimidine-4-carboxylic acid?
The canonical SMILES for 5-chloro-2-(3-ethyl-4-pyridinyl)pyrimidine-4-carboxylic acid is CCc1cnccc1-c1ncc(Cl)c(C(=O)O)n1.
What is the InChIKey of 5-chloro-2-(3-ethyl-4-pyridinyl)pyrimidine-4-carboxylic acid?
The InChIKey is HZSLLVRHPBSHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O2/c1-2-7-5-14-4-3-8(7)11-15-6-9(13)10(16-11)12(17)18/h3-6H,2H2,1H3,(H,17,18).
What are the key properties of 5-chloro-2-(3-ethyl-4-pyridinyl)pyrimidine-4-carboxylic acid?
5-chloro-2-(3-ethyl-4-pyridinyl)pyrimidine-4-carboxylic acid has a molecular weight of 263.68 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(3-ethyl-4-pyridinyl)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 106511963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).