2-[(4-cyano-2-pyridinyl)oxy]-4-methylbenzoic acid

C14H10N2O3 — CID 61395798

IUPAC2-[(4-cyano-2-pyridinyl)oxy]-4-methylbenzoic acid
SMILESCc1ccc(C(=O)O)c(Oc2cc(C#N)ccn2)c1
InChIInChI=1S/C14H10N2O3/c1-9-2-3-11(14(17)18)12(6-9)19-13-7-10(8-15)4-5-16-13/h2-7H,1H3,(H,17,18)
InChIKeyQQPNALRTNUEFKG-UHFFFAOYSA-N
MW254.25 g/mol
LogP2.75
Rot. Bonds3

About 2-[(4-cyano-2-pyridinyl)oxy]-4-methylbenzoic acid

2-[(4-cyano-2-pyridinyl)oxy]-4-methylbenzoic acid (PubChem CID 61395798) has the molecular formula C14H10N2O3 and a molecular weight of 254.25 g/mol. Its IUPAC name is 2-[(4-cyano-2-pyridinyl)oxy]-4-methylbenzoic acid.

Molecular Properties

Compound Name2-[(4-cyano-2-pyridinyl)oxy]-4-methylbenzoic acid
PubChem CID61395798
Molecular FormulaC14H10N2O3
Molecular Weight254.25 g/mol
Exact Mass254.07
IUPAC Name2-[(4-cyano-2-pyridinyl)oxy]-4-methylbenzoic acid
SMILESCc1ccc(C(=O)O)c(Oc2cc(C#N)ccn2)c1
InChIInChI=1S/C14H10N2O3/c1-9-2-3-11(14(17)18)12(6-9)19-13-7-10(8-15)4-5-16-13/h2-7H,1H3,(H,17,18)
InChIKeyQQPNALRTNUEFKG-UHFFFAOYSA-N
XLogP2.75
TPSA83.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-cyano-2-pyridinyl)oxy]benzoic acid
CID 61395565
2-(2,4-dimethylphenoxy)pyridine-4-carbonitrile
CID 24690877
2-(2-chloro-4-cyanophenoxy)-4-methylbenzoic acid
CID 63092790
4-methyl-2-pyrimidin-2-yloxybenzoic acid
CID 61395843
2-[2-[(4-cyano-2-pyridinyl)oxy]phenyl]acetic acid
CID 80741750
2-[(5-bromo-2-pyridinyl)oxy]-4-methylbenzoic acid
CID 61395820
2-methyl-3-[(4-methyl-2-pyridinyl)oxy]benzoic acid
CID 82830521
2-furo[3,2-c]pyridin-4-yloxy-4-methylbenzoic acid
CID 106535487
4-bromo-2-(2-cyano-5-methylphenoxy)benzoic acid
CID 62308543
2-(3-chloro-2-cyanophenoxy)-4-methylbenzoic acid
CID 62496708
2-(3-chloro-4-cyanophenoxy)-4-methylbenzoic acid
CID 62944909
2-(2-cyano-5-methoxyphenoxy)-4-methylbenzoic acid
CID 81301510

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyano-2-pyridinyl)oxy]-4-methylbenzoic acid?
The IUPAC name of 2-[(4-cyano-2-pyridinyl)oxy]-4-methylbenzoic acid (CID 61395798) is 2-[(4-cyano-2-pyridinyl)oxy]-4-methylbenzoic acid.
What is the SMILES notation for 2-[(4-cyano-2-pyridinyl)oxy]-4-methylbenzoic acid?
The canonical SMILES for 2-[(4-cyano-2-pyridinyl)oxy]-4-methylbenzoic acid is Cc1ccc(C(=O)O)c(Oc2cc(C#N)ccn2)c1.
What is the InChIKey of 2-[(4-cyano-2-pyridinyl)oxy]-4-methylbenzoic acid?
The InChIKey is QQPNALRTNUEFKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O3/c1-9-2-3-11(14(17)18)12(6-9)19-13-7-10(8-15)4-5-16-13/h2-7H,1H3,(H,17,18).
What are the key properties of 2-[(4-cyano-2-pyridinyl)oxy]-4-methylbenzoic acid?
2-[(4-cyano-2-pyridinyl)oxy]-4-methylbenzoic acid has a molecular weight of 254.25 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyano-2-pyridinyl)oxy]-4-methylbenzoic acid is sourced from PubChem (CID 61395798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).