5-chloro-3-iodo-1H-pyrrolo[2,3-b]pyridine-6-carbonitrile

C8H3ClIN3 — CID 123135383

IUPAC5-chloro-3-iodo-1H-pyrrolo[2,3-b]pyridine-6-carbonitrile
SMILESN#Cc1nc2[nH]cc(I)c2cc1Cl
InChIInChI=1S/C8H3ClIN3/c9-5-1-4-6(10)3-12-8(4)13-7(5)2-11/h1,3H,(H,12,13)
InChIKeyDWYVXZQOUHSQIS-UHFFFAOYSA-N
MW303.49 g/mol
LogP2.69
Rot. Bonds

About 5-chloro-3-iodo-1H-pyrrolo[2,3-b]pyridine-6-carbonitrile

5-chloro-3-iodo-1H-pyrrolo[2,3-b]pyridine-6-carbonitrile (PubChem CID 123135383) has the molecular formula C8H3ClIN3 and a molecular weight of 303.49 g/mol. Its IUPAC name is 5-chloro-3-iodo-1H-pyrrolo[2,3-b]pyridine-6-carbonitrile.

Molecular Properties

Compound Name5-chloro-3-iodo-1H-pyrrolo[2,3-b]pyridine-6-carbonitrile
PubChem CID123135383
Molecular FormulaC8H3ClIN3
Molecular Weight303.49 g/mol
Exact Mass302.91
IUPAC Name5-chloro-3-iodo-1H-pyrrolo[2,3-b]pyridine-6-carbonitrile
SMILESN#Cc1nc2[nH]cc(I)c2cc1Cl
InChIInChI=1S/C8H3ClIN3/c9-5-1-4-6(10)3-12-8(4)13-7(5)2-11/h1,3H,(H,12,13)
InChIKeyDWYVXZQOUHSQIS-UHFFFAOYSA-N
XLogP2.69
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.49
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-5-iodopyridine-2-carbonitrile
CID 133059354
5-bromo-4-chloro-1H-pyrrolo[2,3-b]pyridine-6-carbonitrile
CID 171820297
2,5-dichloro-6-cyanopyridine-3-carboxylic acid
CID 129097662
6-phenyl-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile
CID 133095528
7-chloro-4-oxo-1H-1,8-naphthyridine-3-carbonitrile
CID 146013293
methyl 3-amino-5-chloro-6-cyanopyridine-2-carboxylate
CID 105465498
6-(2-chlorophenyl)-3-iodo-1H-pyrrolo[3,2-c]pyridine
CID 71579451
6,7-dichloro-3-nitro-1H-1,8-naphthyridin-4-one
CID 175866851
6-chloro-3-iodo-2H-pyrazolo[3,4-d]pyrimidine-4-carbonitrile
CID 156805665
3-iodo-N-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-5-amine
CID 118254316
5-chloro-3-iodo-1H-indole
CID 2762969
benzenesulfonyl chloride;3-iodo-1-methylpyrrolo[2,3-b]pyridine-5-carbonitrile;3-iodo-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile
CID 162176295

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-iodo-1H-pyrrolo[2,3-b]pyridine-6-carbonitrile?
The IUPAC name of 5-chloro-3-iodo-1H-pyrrolo[2,3-b]pyridine-6-carbonitrile (CID 123135383) is 5-chloro-3-iodo-1H-pyrrolo[2,3-b]pyridine-6-carbonitrile.
What is the SMILES notation for 5-chloro-3-iodo-1H-pyrrolo[2,3-b]pyridine-6-carbonitrile?
The canonical SMILES for 5-chloro-3-iodo-1H-pyrrolo[2,3-b]pyridine-6-carbonitrile is N#Cc1nc2[nH]cc(I)c2cc1Cl.
What is the InChIKey of 5-chloro-3-iodo-1H-pyrrolo[2,3-b]pyridine-6-carbonitrile?
The InChIKey is DWYVXZQOUHSQIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3ClIN3/c9-5-1-4-6(10)3-12-8(4)13-7(5)2-11/h1,3H,(H,12,13).
What are the key properties of 5-chloro-3-iodo-1H-pyrrolo[2,3-b]pyridine-6-carbonitrile?
5-chloro-3-iodo-1H-pyrrolo[2,3-b]pyridine-6-carbonitrile has a molecular weight of 303.49 g/mol, XLogP of 2.69, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-iodo-1H-pyrrolo[2,3-b]pyridine-6-carbonitrile is sourced from PubChem (CID 123135383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).