6-[(2-chloro-4-cyanophenoxy)methyl]pyridine-2-carboxylic acid

C14H9ClN2O3 — CID 106903314

IUPAC6-[(2-chloro-4-cyanophenoxy)methyl]pyridine-2-carboxylic acid
SMILESN#Cc1ccc(OCc2cccc(C(=O)O)n2)c(Cl)c1
InChIInChI=1S/C14H9ClN2O3/c15-11-6-9(7-16)4-5-13(11)20-8-10-2-1-3-12(17-10)14(18)19/h1-6H,8H2,(H,18,19)
InChIKeyATWKKFNXLRRVJA-UHFFFAOYSA-N
MW288.69 g/mol
LogP2.88
Rot. Bonds4

About 6-[(2-chloro-4-cyanophenoxy)methyl]pyridine-2-carboxylic acid

6-[(2-chloro-4-cyanophenoxy)methyl]pyridine-2-carboxylic acid (PubChem CID 106903314) has the molecular formula C14H9ClN2O3 and a molecular weight of 288.69 g/mol. Its IUPAC name is 6-[(2-chloro-4-cyanophenoxy)methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(2-chloro-4-cyanophenoxy)methyl]pyridine-2-carboxylic acid
PubChem CID106903314
Molecular FormulaC14H9ClN2O3
Molecular Weight288.69 g/mol
Exact Mass288.03
IUPAC Name6-[(2-chloro-4-cyanophenoxy)methyl]pyridine-2-carboxylic acid
SMILESN#Cc1ccc(OCc2cccc(C(=O)O)n2)c(Cl)c1
InChIInChI=1S/C14H9ClN2O3/c15-11-6-9(7-16)4-5-13(11)20-8-10-2-1-3-12(17-10)14(18)19/h1-6H,8H2,(H,18,19)
InChIKeyATWKKFNXLRRVJA-UHFFFAOYSA-N
XLogP2.88
TPSA83.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.69
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-4-[(6-methoxy-2-pyridinyl)methoxy]benzonitrile
CID 63985087
6-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]-4-cyanopyridine-2-carboxylic acid
CID 155146083
6-[(4-cyano-2-fluorophenoxy)methyl]pyridine-2-carbohydrazide
CID 107668852
3-chloro-4-[(3-cyanophenyl)methoxy]benzoic acid
CID 60711872
6-(phenoxymethyl)pyridine-2-carboxylic acid
CID 54566453
3-[(6-chloro-2-pyridinyl)methoxy]-4-methylbenzonitrile
CID 103760415
4-[(2-chloro-4-cyanophenoxy)methyl]-1,3-thiazole-2-carbohydrazide
CID 63575239
6-(2-chloro-4-cyanoanilino)pyridine-2-carboxylic acid
CID 107808831
6-[(2,6-dibromophenoxy)methyl]pyridine-2-carboxylic acid
CID 106903241
6-[(2-fluoro-4-nitrophenoxy)methyl]pyridine-2-carboxylic acid
CID 106903319
3-chloro-4-(3-oxo-3-phenylpropoxy)benzonitrile
CID 116692131
3-(2-chloro-4-cyanophenoxy)-2-methylpropanoic acid
CID 43538064

Frequently Asked Questions

What is the IUPAC name of 6-[(2-chloro-4-cyanophenoxy)methyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(2-chloro-4-cyanophenoxy)methyl]pyridine-2-carboxylic acid (CID 106903314) is 6-[(2-chloro-4-cyanophenoxy)methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(2-chloro-4-cyanophenoxy)methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(2-chloro-4-cyanophenoxy)methyl]pyridine-2-carboxylic acid is N#Cc1ccc(OCc2cccc(C(=O)O)n2)c(Cl)c1.
What is the InChIKey of 6-[(2-chloro-4-cyanophenoxy)methyl]pyridine-2-carboxylic acid?
The InChIKey is ATWKKFNXLRRVJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2O3/c15-11-6-9(7-16)4-5-13(11)20-8-10-2-1-3-12(17-10)14(18)19/h1-6H,8H2,(H,18,19).
What are the key properties of 6-[(2-chloro-4-cyanophenoxy)methyl]pyridine-2-carboxylic acid?
6-[(2-chloro-4-cyanophenoxy)methyl]pyridine-2-carboxylic acid has a molecular weight of 288.69 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-chloro-4-cyanophenoxy)methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 106903314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).