1-(1H-pyrrolo[3,2-c]pyridin-3-yl)cyclohexane-1-carboxylic acid

C14H16N2O2 — CID 82664593

IUPAC1-(1H-pyrrolo[3,2-c]pyridin-3-yl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1(c2c[nH]c3ccncc23)CCCCC1
InChIInChI=1S/C14H16N2O2/c17-13(18)14(5-2-1-3-6-14)11-9-16-12-4-7-15-8-10(11)12/h4,7-9,16H,1-3,5-6H2,(H,17,18)
InChIKeyHVUNEEPIJSDBCO-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.85
Rot. Bonds2

About 1-(1H-pyrrolo[3,2-c]pyridin-3-yl)cyclohexane-1-carboxylic acid

1-(1H-pyrrolo[3,2-c]pyridin-3-yl)cyclohexane-1-carboxylic acid (PubChem CID 82664593) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 1-(1H-pyrrolo[3,2-c]pyridin-3-yl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(1H-pyrrolo[3,2-c]pyridin-3-yl)cyclohexane-1-carboxylic acid
PubChem CID82664593
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name1-(1H-pyrrolo[3,2-c]pyridin-3-yl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1(c2c[nH]c3ccncc23)CCCCC1
InChIInChI=1S/C14H16N2O2/c17-13(18)14(5-2-1-3-6-14)11-9-16-12-4-7-15-8-10(11)12/h4,7-9,16H,1-3,5-6H2,(H,17,18)
InChIKeyHVUNEEPIJSDBCO-UHFFFAOYSA-N
XLogP2.85
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-isoquinolin-8-ylcyclopentane-1-carboxylic acid
CID 117355312
1-(4-chloro-3-pyridinyl)cyclopentane-1-carboxylic acid
CID 115009157
(1-phenylcyclopropyl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone
CID 102626591
1-(5-methyl-1H-indol-3-yl)cyclopropane-1-carboxylic acid
CID 82278306
1-(3-ethyl-4-pyridinyl)cyclopentane-1-carboxylic acid
CID 115008860
cyclohexyl(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone
CID 102626384
1-(4-methoxy-1H-indol-5-yl)cyclohexane-1-carboxylic acid
CID 117435907
1-pyrazin-2-ylcyclohexane-1-carboxylic acid
CID 96767473
1-(3-chloro-1H-indol-5-yl)cyclohexane-1-carboxylic acid
CID 117445308
1-(3-methyl-1H-indol-5-yl)cyclohexane-1-carboxylic acid
CID 117396793
1-(5-ethoxy-1H-indol-3-yl)cyclopropane-1-carboxylic acid
CID 82278313
1-(1H-pyrazol-5-yl)cyclohexane-1-carboxylic acid
CID 82605756

Frequently Asked Questions

What is the IUPAC name of 1-(1H-pyrrolo[3,2-c]pyridin-3-yl)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-(1H-pyrrolo[3,2-c]pyridin-3-yl)cyclohexane-1-carboxylic acid (CID 82664593) is 1-(1H-pyrrolo[3,2-c]pyridin-3-yl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(1H-pyrrolo[3,2-c]pyridin-3-yl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(1H-pyrrolo[3,2-c]pyridin-3-yl)cyclohexane-1-carboxylic acid is O=C(O)C1(c2c[nH]c3ccncc23)CCCCC1.
What is the InChIKey of 1-(1H-pyrrolo[3,2-c]pyridin-3-yl)cyclohexane-1-carboxylic acid?
The InChIKey is HVUNEEPIJSDBCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c17-13(18)14(5-2-1-3-6-14)11-9-16-12-4-7-15-8-10(11)12/h4,7-9,16H,1-3,5-6H2,(H,17,18).
What are the key properties of 1-(1H-pyrrolo[3,2-c]pyridin-3-yl)cyclohexane-1-carboxylic acid?
1-(1H-pyrrolo[3,2-c]pyridin-3-yl)cyclohexane-1-carboxylic acid has a molecular weight of 244.29 g/mol, XLogP of 2.85, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-pyrrolo[3,2-c]pyridin-3-yl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 82664593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).