5-cyclohexyl-3-iodo-1H-pyrrolo[2,3-b]pyridine

C13H15IN2 — CID 59238866

IUPAC5-cyclohexyl-3-iodo-1H-pyrrolo[2,3-b]pyridine
SMILESIc1c[nH]c2ncc(C3CCCCC3)cc12
InChIInChI=1S/C13H15IN2/c14-12-8-16-13-11(12)6-10(7-15-13)9-4-2-1-3-5-9/h6-9H,1-5H2,(H,15,16)
InChIKeyKRQOCBWSCGQELK-UHFFFAOYSA-N
MW326.18 g/mol
LogP4.22
Rot. Bonds1

About 5-cyclohexyl-3-iodo-1H-pyrrolo[2,3-b]pyridine

5-cyclohexyl-3-iodo-1H-pyrrolo[2,3-b]pyridine (PubChem CID 59238866) has the molecular formula C13H15IN2 and a molecular weight of 326.18 g/mol. Its IUPAC name is 5-cyclohexyl-3-iodo-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-cyclohexyl-3-iodo-1H-pyrrolo[2,3-b]pyridine
PubChem CID59238866
Molecular FormulaC13H15IN2
Molecular Weight326.18 g/mol
Exact Mass326.03
IUPAC Name5-cyclohexyl-3-iodo-1H-pyrrolo[2,3-b]pyridine
SMILESIc1c[nH]c2ncc(C3CCCCC3)cc12
InChIInChI=1S/C13H15IN2/c14-12-8-16-13-11(12)6-10(7-15-13)9-4-2-1-3-5-9/h6-9H,1-5H2,(H,15,16)
InChIKeyKRQOCBWSCGQELK-UHFFFAOYSA-N
XLogP4.22
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.18
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-(5-cyclohexyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-(1-methylpiperidin-4-yl)-1,3-thiazole
CID 24992116
5-cyclohexyl-3-methyl-1H-pyrrolo[2,3-b]pyridine;ethane;molecular hydrogen;1,4-oxazepane
CID 143731575
3-iodo-N-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-5-amine
CID 118254316
4-(5-cyclohexyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-methyl-1,3-thiazole;ethane;1,4-oxazepane
CID 143731585
5-cycloheptyl-1H-pyrimidine-2-thione
CID 13164001
3-(1-methylpyrazol-4-yl)-5-(4-pyrrolidin-1-ylcyclohexyl)-1H-pyrrolo[2,3-b]pyridine
CID 25024002
5-(4-ethenylcyclohexyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 147382339
N,N-diethyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexan-1-amine
CID 143731812
2-[[4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]amino]ethanol
CID 143731790
5-[4-(4-methyl-1,4-diazepan-1-yl)cyclohexyl]-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 25024004
N-ethyl-N-propan-2-yl-4-[3-(1H-pyrazol-1-ium-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexan-1-amine
CID 143731842
5-[4-(4-methylpiperazin-1-yl)cyclohexyl]-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 143731723

Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-3-iodo-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-cyclohexyl-3-iodo-1H-pyrrolo[2,3-b]pyridine (CID 59238866) is 5-cyclohexyl-3-iodo-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-cyclohexyl-3-iodo-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-cyclohexyl-3-iodo-1H-pyrrolo[2,3-b]pyridine is Ic1c[nH]c2ncc(C3CCCCC3)cc12.
What is the InChIKey of 5-cyclohexyl-3-iodo-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is KRQOCBWSCGQELK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15IN2/c14-12-8-16-13-11(12)6-10(7-15-13)9-4-2-1-3-5-9/h6-9H,1-5H2,(H,15,16).
What are the key properties of 5-cyclohexyl-3-iodo-1H-pyrrolo[2,3-b]pyridine?
5-cyclohexyl-3-iodo-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 326.18 g/mol, XLogP of 4.22, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-3-iodo-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 59238866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).