4-(pyridin-4-ylmethylidene)cyclohexane-1-carboxylic acid

C13H15NO2 — CID 126845931

IUPAC4-(pyridin-4-ylmethylidene)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(=Cc2ccncc2)CC1
InChIInChI=1S/C13H15NO2/c15-13(16)12-3-1-10(2-4-12)9-11-5-7-14-8-6-11/h5-9,12H,1-4H2,(H,15,16)/b10-9-
InChIKeyLJXRGHWCZRSJSK-KTKRTIGZSA-N
MW217.27 g/mol
LogP2.74
Rot. Bonds2

About 4-(pyridin-4-ylmethylidene)cyclohexane-1-carboxylic acid

4-(pyridin-4-ylmethylidene)cyclohexane-1-carboxylic acid (PubChem CID 126845931) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 4-(pyridin-4-ylmethylidene)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(pyridin-4-ylmethylidene)cyclohexane-1-carboxylic acid
PubChem CID126845931
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name4-(pyridin-4-ylmethylidene)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(=Cc2ccncc2)CC1
InChIInChI=1S/C13H15NO2/c15-13(16)12-3-1-10(2-4-12)9-11-5-7-14-8-6-11/h5-9,12H,1-4H2,(H,15,16)/b10-9-
InChIKeyLJXRGHWCZRSJSK-KTKRTIGZSA-N
XLogP2.74
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-oxo-2-pyridin-4-ylethyl)cyclohexane-1-carboxylic acid
CID 142888407
1-pyridin-4-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid
CID 82386396
4-pyridin-3-ylcyclohexane-1-carboxylic acid
CID 82282997
2-pyridin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxylic acid
CID 82132812
2-pyridin-4-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid
CID 82567852
6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-7-carboxylic acid
CID 126815797
2-methyl-1-(pyridine-4-carbonyl)piperidine-4-carboxylic acid
CID 106742262
1-[cyano(pyridin-4-yl)methyl]piperidine-4-carboxylic acid
CID 82020132
6,7-dihydro-5H-cyclopenta[c]pyridine-6-carboxylic acid
CID 58852290
N-(pyridin-4-ylmethylideneamino)cyclobutanecarboxamide
CID 54518207
4-hydroxy-4-[(pyridin-4-ylmethylamino)methyl]cyclohexane-1-carboxylic acid
CID 106499063
cyclopropyl-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 110868344

Frequently Asked Questions

What is the IUPAC name of 4-(pyridin-4-ylmethylidene)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(pyridin-4-ylmethylidene)cyclohexane-1-carboxylic acid (CID 126845931) is 4-(pyridin-4-ylmethylidene)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(pyridin-4-ylmethylidene)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(pyridin-4-ylmethylidene)cyclohexane-1-carboxylic acid is O=C(O)C1CCC(=Cc2ccncc2)CC1.
What is the InChIKey of 4-(pyridin-4-ylmethylidene)cyclohexane-1-carboxylic acid?
The InChIKey is LJXRGHWCZRSJSK-KTKRTIGZSA-N. The full InChI is InChI=1S/C13H15NO2/c15-13(16)12-3-1-10(2-4-12)9-11-5-7-14-8-6-11/h5-9,12H,1-4H2,(H,15,16)/b10-9-.
What are the key properties of 4-(pyridin-4-ylmethylidene)cyclohexane-1-carboxylic acid?
4-(pyridin-4-ylmethylidene)cyclohexane-1-carboxylic acid has a molecular weight of 217.27 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyridin-4-ylmethylidene)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 126845931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).