2-[2-(2-methylpropyl)pyrimidin-4-yl]pyridine-4-carboxylic acid

C14H15N3O2 — CID 56878845

IUPAC2-[2-(2-methylpropyl)pyrimidin-4-yl]pyridine-4-carboxylic acid
SMILESCC(C)Cc1nccc(-c2cc(C(=O)O)ccn2)n1
InChIInChI=1S/C14H15N3O2/c1-9(2)7-13-16-6-4-11(17-13)12-8-10(14(18)19)3-5-15-12/h3-6,8-9H,7H2,1-2H3,(H,18,19)
InChIKeyGYALWOIODRAAKW-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.44
Rot. Bonds4

About 2-[2-(2-methylpropyl)pyrimidin-4-yl]pyridine-4-carboxylic acid

2-[2-(2-methylpropyl)pyrimidin-4-yl]pyridine-4-carboxylic acid (PubChem CID 56878845) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-[2-(2-methylpropyl)pyrimidin-4-yl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-(2-methylpropyl)pyrimidin-4-yl]pyridine-4-carboxylic acid
PubChem CID56878845
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name2-[2-(2-methylpropyl)pyrimidin-4-yl]pyridine-4-carboxylic acid
SMILESCC(C)Cc1nccc(-c2cc(C(=O)O)ccn2)n1
InChIInChI=1S/C14H15N3O2/c1-9(2)7-13-16-6-4-11(17-13)12-8-10(14(18)19)3-5-15-12/h3-6,8-9H,7H2,1-2H3,(H,18,19)
InChIKeyGYALWOIODRAAKW-UHFFFAOYSA-N
XLogP2.44
TPSA75.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(3-methylbutyl)pyrimidin-4-yl]pyridine-4-carboxylic acid
CID 56874192
2-(2-methylpropyl)pyrimidine-4-carboxylic acid
CID 62749024
3-(2-ethylpyrimidin-4-yl)benzoic acid
CID 105485424
bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid);oxalic acid;ruthenium
CID 11982105
2-methyl-3-(4-pyridin-2-ylpyrimidin-2-yl)propanoic acid
CID 116900037
2-(2-pyridin-4-ylpyrimidin-4-yl)pyridine-4-carboxylic acid
CID 56861601
3-amino-6-(4-carboxy-2-pyridinyl)pyridine-2-carboxylic acid
CID 140591026
2-[4-carboxy-6-(4-carboxy-2-pyridinyl)-2-pyridinyl]-6-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;4-ethyl-2-[4-ethyl-6-(4-ethyl-2-pyridinyl)-2-pyridinyl]-6-(4-ethyl-2-pyridinyl)pyridine
CID 160626677
3-(2-methylpropyl)-2H-indazole-5-carboxylic acid
CID 105472301
2-[2-[methyl-[(4-methylphenyl)methyl]amino]pyrimidin-4-yl]pyridine-4-carboxylic acid
CID 56878281
2-[2-(2-fluorophenyl)pyrimidin-4-yl]pyridine-4-carboxylic acid
CID 56873737
[2-(2-methylpropyl)pyrimidin-4-yl]methanol
CID 62747781

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylpropyl)pyrimidin-4-yl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[2-(2-methylpropyl)pyrimidin-4-yl]pyridine-4-carboxylic acid (CID 56878845) is 2-[2-(2-methylpropyl)pyrimidin-4-yl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[2-(2-methylpropyl)pyrimidin-4-yl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[2-(2-methylpropyl)pyrimidin-4-yl]pyridine-4-carboxylic acid is CC(C)Cc1nccc(-c2cc(C(=O)O)ccn2)n1.
What is the InChIKey of 2-[2-(2-methylpropyl)pyrimidin-4-yl]pyridine-4-carboxylic acid?
The InChIKey is GYALWOIODRAAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-9(2)7-13-16-6-4-11(17-13)12-8-10(14(18)19)3-5-15-12/h3-6,8-9H,7H2,1-2H3,(H,18,19).
What are the key properties of 2-[2-(2-methylpropyl)pyrimidin-4-yl]pyridine-4-carboxylic acid?
2-[2-(2-methylpropyl)pyrimidin-4-yl]pyridine-4-carboxylic acid has a molecular weight of 257.29 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylpropyl)pyrimidin-4-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 56878845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).