3-[(2-cyano-4-pyridinyl)methoxy]benzoic acid

C14H10N2O3 — CID 63888033

IUPAC3-[(2-cyano-4-pyridinyl)methoxy]benzoic acid
SMILESN#Cc1cc(COc2cccc(C(=O)O)c2)ccn1
InChIInChI=1S/C14H10N2O3/c15-8-12-6-10(4-5-16-12)9-19-13-3-1-2-11(7-13)14(17)18/h1-7H,9H2,(H,17,18)
InChIKeyOJFRUFZVFJOOGK-UHFFFAOYSA-N
MW254.25 g/mol
LogP2.23
Rot. Bonds4

About 3-[(2-cyano-4-pyridinyl)methoxy]benzoic acid

3-[(2-cyano-4-pyridinyl)methoxy]benzoic acid (PubChem CID 63888033) has the molecular formula C14H10N2O3 and a molecular weight of 254.25 g/mol. Its IUPAC name is 3-[(2-cyano-4-pyridinyl)methoxy]benzoic acid.

Molecular Properties

Compound Name3-[(2-cyano-4-pyridinyl)methoxy]benzoic acid
PubChem CID63888033
Molecular FormulaC14H10N2O3
Molecular Weight254.25 g/mol
Exact Mass254.07
IUPAC Name3-[(2-cyano-4-pyridinyl)methoxy]benzoic acid
SMILESN#Cc1cc(COc2cccc(C(=O)O)c2)ccn1
InChIInChI=1S/C14H10N2O3/c15-8-12-6-10(4-5-16-12)9-19-13-3-1-2-11(7-13)14(17)18/h1-7H,9H2,(H,17,18)
InChIKeyOJFRUFZVFJOOGK-UHFFFAOYSA-N
XLogP2.23
TPSA83.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3-aminophenoxy)methyl]pyridine-2-carbonitrile
CID 63888827
4-[(2-cyano-4-pyridinyl)methoxy]-2-methylbenzoic acid
CID 107671245
4-[[3-(trifluoromethyl)phenoxy]methyl]pyridine-2-carbonitrile
CID 63884627
4-[[3-(chloromethyl)phenoxy]methyl]pyridine-2-carbonitrile
CID 63882354
4-[[3-(aminomethyl)phenoxy]methyl]pyridine-2-carbonitrile
CID 63887840
4-[(4-hydroxyphenoxy)methyl]pyridine-2-carbonitrile
CID 63882551
3-[(2-cyano-4-pyridinyl)methylsulfonyl]benzoic acid
CID 63882358
(2-cyano-4-pyridinyl)methyl 3-aminobenzoate
CID 63880643
4-[[3-(1-aminoethyl)phenoxy]methyl]pyridine-2-carbonitrile
CID 63887242
3-[(3-fluorophenyl)methoxy]benzoic acid
CID 6463764
3-[(3-carbamoylphenoxy)methyl]benzoic acid
CID 24710779
4-[(4-bromophenoxy)methyl]pyridine-2-carbonitrile
CID 63880574

Frequently Asked Questions

What is the IUPAC name of 3-[(2-cyano-4-pyridinyl)methoxy]benzoic acid?
The IUPAC name of 3-[(2-cyano-4-pyridinyl)methoxy]benzoic acid (CID 63888033) is 3-[(2-cyano-4-pyridinyl)methoxy]benzoic acid.
What is the SMILES notation for 3-[(2-cyano-4-pyridinyl)methoxy]benzoic acid?
The canonical SMILES for 3-[(2-cyano-4-pyridinyl)methoxy]benzoic acid is N#Cc1cc(COc2cccc(C(=O)O)c2)ccn1.
What is the InChIKey of 3-[(2-cyano-4-pyridinyl)methoxy]benzoic acid?
The InChIKey is OJFRUFZVFJOOGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O3/c15-8-12-6-10(4-5-16-12)9-19-13-3-1-2-11(7-13)14(17)18/h1-7H,9H2,(H,17,18).
What are the key properties of 3-[(2-cyano-4-pyridinyl)methoxy]benzoic acid?
3-[(2-cyano-4-pyridinyl)methoxy]benzoic acid has a molecular weight of 254.25 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-cyano-4-pyridinyl)methoxy]benzoic acid is sourced from PubChem (CID 63888033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).