3,6-dichloro-4-(1-phenylethoxy)-1H-pyrrolo[2,3-b]pyridine

C15H12Cl2N2O — CID 166675788

IUPAC3,6-dichloro-4-(1-phenylethoxy)-1H-pyrrolo[2,3-b]pyridine
SMILESCC(Oc1cc(Cl)nc2[nH]cc(Cl)c12)c1ccccc1
InChIInChI=1S/C15H12Cl2N2O/c1-9(10-5-3-2-4-6-10)20-12-7-13(17)19-15-14(12)11(16)8-18-15/h2-9H,1H3,(H,18,19)
InChIKeyUHAVUWHWDDKDEC-UHFFFAOYSA-N
MW307.18 g/mol
LogP5.01
Rot. Bonds3

About 3,6-dichloro-4-(1-phenylethoxy)-1H-pyrrolo[2,3-b]pyridine

3,6-dichloro-4-(1-phenylethoxy)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 166675788) has the molecular formula C15H12Cl2N2O and a molecular weight of 307.18 g/mol. Its IUPAC name is 3,6-dichloro-4-(1-phenylethoxy)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3,6-dichloro-4-(1-phenylethoxy)-1H-pyrrolo[2,3-b]pyridine
PubChem CID166675788
Molecular FormulaC15H12Cl2N2O
Molecular Weight307.18 g/mol
Exact Mass306.03
IUPAC Name3,6-dichloro-4-(1-phenylethoxy)-1H-pyrrolo[2,3-b]pyridine
SMILESCC(Oc1cc(Cl)nc2[nH]cc(Cl)c12)c1ccccc1
InChIInChI=1S/C15H12Cl2N2O/c1-9(10-5-3-2-4-6-10)20-12-7-13(17)19-15-14(12)11(16)8-18-15/h2-9H,1H3,(H,18,19)
InChIKeyUHAVUWHWDDKDEC-UHFFFAOYSA-N
XLogP5.01
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.18
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

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CID 62483949
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CID 63445964
2-chloro-5-(1-phenylethoxy)aniline
CID 58022217
4-chloro-6-(1-phenylethoxy)pyrimidine
CID 61279152
1-(1-phenylethoxy)anthracene
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CID 62910673
1-chloro-2-fluoro-4-(1-phenylethoxy)benzene
CID 82726969
5-methoxy-2-(1-phenylethoxy)aniline
CID 62058742
3-chloro-5-(1-phenylethoxy)-1,2,4-triazine
CID 114999692
6-chloro-4-ethyl-7-(1-phenylethoxy)chromen-2-one
CID 2917581
6-chloro-4-ethyl-7-[(1R)-1-phenylethoxy]chromen-2-one
CID 7375637

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-4-(1-phenylethoxy)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3,6-dichloro-4-(1-phenylethoxy)-1H-pyrrolo[2,3-b]pyridine (CID 166675788) is 3,6-dichloro-4-(1-phenylethoxy)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3,6-dichloro-4-(1-phenylethoxy)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3,6-dichloro-4-(1-phenylethoxy)-1H-pyrrolo[2,3-b]pyridine is CC(Oc1cc(Cl)nc2[nH]cc(Cl)c12)c1ccccc1.
What is the InChIKey of 3,6-dichloro-4-(1-phenylethoxy)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is UHAVUWHWDDKDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2O/c1-9(10-5-3-2-4-6-10)20-12-7-13(17)19-15-14(12)11(16)8-18-15/h2-9H,1H3,(H,18,19).
What are the key properties of 3,6-dichloro-4-(1-phenylethoxy)-1H-pyrrolo[2,3-b]pyridine?
3,6-dichloro-4-(1-phenylethoxy)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 307.18 g/mol, XLogP of 5.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-4-(1-phenylethoxy)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 166675788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).