3-(6-chloro-3-pyridinyl)-6-(1,1-difluoropropyl)-2-pyridin-2-ylimidazo[4,5-b]pyridine

C19H14ClF2N5 — CID 89117685

IUPAC3-(6-chloro-3-pyridinyl)-6-(1,1-difluoropropyl)-2-pyridin-2-ylimidazo[4,5-b]pyridine
SMILESCCC(F)(F)c1cnc2c(c1)nc(-c1ccccn1)n2-c1ccc(Cl)nc1
InChIInChI=1S/C19H14ClF2N5/c1-2-19(21,22)12-9-15-17(25-10-12)27(13-6-7-16(20)24-11-13)18(26-15)14-5-3-4-8-23-14/h3-11H,2H2,1H3
InChIKeyDDKIXTNGXRZTBD-UHFFFAOYSA-N
MW385.81 g/mol
LogP5.03
Rot. Bonds4

About 3-(6-chloro-3-pyridinyl)-6-(1,1-difluoropropyl)-2-pyridin-2-ylimidazo[4,5-b]pyridine

3-(6-chloro-3-pyridinyl)-6-(1,1-difluoropropyl)-2-pyridin-2-ylimidazo[4,5-b]pyridine (PubChem CID 89117685) has the molecular formula C19H14ClF2N5 and a molecular weight of 385.81 g/mol. Its IUPAC name is 3-(6-chloro-3-pyridinyl)-6-(1,1-difluoropropyl)-2-pyridin-2-ylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-(6-chloro-3-pyridinyl)-6-(1,1-difluoropropyl)-2-pyridin-2-ylimidazo[4,5-b]pyridine
PubChem CID89117685
Molecular FormulaC19H14ClF2N5
Molecular Weight385.81 g/mol
Exact Mass385.09
IUPAC Name3-(6-chloro-3-pyridinyl)-6-(1,1-difluoropropyl)-2-pyridin-2-ylimidazo[4,5-b]pyridine
SMILESCCC(F)(F)c1cnc2c(c1)nc(-c1ccccn1)n2-c1ccc(Cl)nc1
InChIInChI=1S/C19H14ClF2N5/c1-2-19(21,22)12-9-15-17(25-10-12)27(13-6-7-16(20)24-11-13)18(26-15)14-5-3-4-8-23-14/h3-11H,2H2,1H3
InChIKeyDDKIXTNGXRZTBD-UHFFFAOYSA-N
XLogP5.03
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.81
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(6-chloro-3-pyridinyl)-6-(1,1-difluoropropyl)-2-pyridin-2-ylimidazo[4,5-b]pyridine with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-(6-chloro-3-pyridinyl)-6-(1,1-difluoropropyl)-2-pyridin-2-ylimidazo[4,5-b]pyridine?
The IUPAC name of 3-(6-chloro-3-pyridinyl)-6-(1,1-difluoropropyl)-2-pyridin-2-ylimidazo[4,5-b]pyridine (CID 89117685) is 3-(6-chloro-3-pyridinyl)-6-(1,1-difluoropropyl)-2-pyridin-2-ylimidazo[4,5-b]pyridine.
What is the SMILES notation for 3-(6-chloro-3-pyridinyl)-6-(1,1-difluoropropyl)-2-pyridin-2-ylimidazo[4,5-b]pyridine?
The canonical SMILES for 3-(6-chloro-3-pyridinyl)-6-(1,1-difluoropropyl)-2-pyridin-2-ylimidazo[4,5-b]pyridine is CCC(F)(F)c1cnc2c(c1)nc(-c1ccccn1)n2-c1ccc(Cl)nc1.
What is the InChIKey of 3-(6-chloro-3-pyridinyl)-6-(1,1-difluoropropyl)-2-pyridin-2-ylimidazo[4,5-b]pyridine?
The InChIKey is DDKIXTNGXRZTBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF2N5/c1-2-19(21,22)12-9-15-17(25-10-12)27(13-6-7-16(20)24-11-13)18(26-15)14-5-3-4-8-23-14/h3-11H,2H2,1H3.
What are the key properties of 3-(6-chloro-3-pyridinyl)-6-(1,1-difluoropropyl)-2-pyridin-2-ylimidazo[4,5-b]pyridine?
3-(6-chloro-3-pyridinyl)-6-(1,1-difluoropropyl)-2-pyridin-2-ylimidazo[4,5-b]pyridine has a molecular weight of 385.81 g/mol, XLogP of 5.03, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloro-3-pyridinyl)-6-(1,1-difluoropropyl)-2-pyridin-2-ylimidazo[4,5-b]pyridine is sourced from PubChem (CID 89117685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).