5-(2,2-dipropylchromen-4-yl)pyridine-2-carboxylic acid

C21H23NO3 — CID 143642746

IUPAC5-(2,2-dipropylchromen-4-yl)pyridine-2-carboxylic acid
SMILESCCCC1(CCC)C=C(c2ccc(C(=O)O)nc2)c2ccccc2O1
InChIInChI=1S/C21H23NO3/c1-3-11-21(12-4-2)13-17(16-7-5-6-8-19(16)25-21)15-9-10-18(20(23)24)22-14-15/h5-10,13-14H,3-4,11-12H2,1-2H3,(H,23,24)
InChIKeyVNLLAOZBUAXECD-UHFFFAOYSA-N
MW337.42 g/mol
LogP4.94
Rot. Bonds6

About 5-(2,2-dipropylchromen-4-yl)pyridine-2-carboxylic acid

5-(2,2-dipropylchromen-4-yl)pyridine-2-carboxylic acid (PubChem CID 143642746) has the molecular formula C21H23NO3 and a molecular weight of 337.42 g/mol. Its IUPAC name is 5-(2,2-dipropylchromen-4-yl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(2,2-dipropylchromen-4-yl)pyridine-2-carboxylic acid
PubChem CID143642746
Molecular FormulaC21H23NO3
Molecular Weight337.42 g/mol
Exact Mass337.17
IUPAC Name5-(2,2-dipropylchromen-4-yl)pyridine-2-carboxylic acid
SMILESCCCC1(CCC)C=C(c2ccc(C(=O)O)nc2)c2ccccc2O1
InChIInChI=1S/C21H23NO3/c1-3-11-21(12-4-2)13-17(16-7-5-6-8-19(16)25-21)15-9-10-18(20(23)24)22-14-15/h5-10,13-14H,3-4,11-12H2,1-2H3,(H,23,24)
InChIKeyVNLLAOZBUAXECD-UHFFFAOYSA-N
XLogP4.94
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-propoxyphenyl)pyridine-2-carboxylic acid
CID 104660736
5-[2-(dimethylamino)phenyl]pyridine-2-carboxylic acid
CID 50998545
5-[2-[3,5-bis(2-bromophenyl)phenyl]phenyl]pyridine-2-carboxylic acid
CID 134191464
5-(3-chloro-2-methylphenyl)pyridine-2-carboxylic acid
CID 53223446
4-[2-(2-aminoethyl)-2-ethylchromen-4-yl]benzonitrile
CID 143029799
5-(2-propylpyrazol-3-yl)pyridine-2-carboxylic acid
CID 63975657
4-[2-(2-aminoethyl)-2-ethylchromen-4-yl]benzonitrile;ethane
CID 143029798
N,N-diethyl-5-(8-methoxyspiro[chromene-2,4'-piperidine]-4-yl)pyridine-2-carboxamide
CID 59674662
5-(3-methyl-4-pyridinyl)pyridine-2-carboxylic acid
CID 66277953
5-(6-carboxy-3-pyridinyl)isoquinoline-3-carboxylic acid
CID 167921982
5-isoquinolin-4-ylpyridine-2-carboxylic acid
CID 63938378
5-(1-ethylpyrazol-4-yl)pyridine-2-carboxylic acid
CID 62958306

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dipropylchromen-4-yl)pyridine-2-carboxylic acid?
The IUPAC name of 5-(2,2-dipropylchromen-4-yl)pyridine-2-carboxylic acid (CID 143642746) is 5-(2,2-dipropylchromen-4-yl)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-(2,2-dipropylchromen-4-yl)pyridine-2-carboxylic acid?
The canonical SMILES for 5-(2,2-dipropylchromen-4-yl)pyridine-2-carboxylic acid is CCCC1(CCC)C=C(c2ccc(C(=O)O)nc2)c2ccccc2O1.
What is the InChIKey of 5-(2,2-dipropylchromen-4-yl)pyridine-2-carboxylic acid?
The InChIKey is VNLLAOZBUAXECD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO3/c1-3-11-21(12-4-2)13-17(16-7-5-6-8-19(16)25-21)15-9-10-18(20(23)24)22-14-15/h5-10,13-14H,3-4,11-12H2,1-2H3,(H,23,24).
What are the key properties of 5-(2,2-dipropylchromen-4-yl)pyridine-2-carboxylic acid?
5-(2,2-dipropylchromen-4-yl)pyridine-2-carboxylic acid has a molecular weight of 337.42 g/mol, XLogP of 4.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dipropylchromen-4-yl)pyridine-2-carboxylic acid is sourced from PubChem (CID 143642746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).