2-(5-chloro-2,4-difluorophenyl)-3-pyridin-2-ylpyridine

C16H9ClF2N2 — CID 90095092

IUPAC2-(5-chloro-2,4-difluorophenyl)-3-pyridin-2-ylpyridine
SMILESFc1cc(F)c(-c2ncccc2-c2ccccn2)cc1Cl
InChIInChI=1S/C16H9ClF2N2/c17-12-8-11(13(18)9-14(12)19)16-10(4-3-7-21-16)15-5-1-2-6-20-15/h1-9H
InChIKeyUZRYDDMXAPSTOP-UHFFFAOYSA-N
MW302.71 g/mol
LogP4.74
Rot. Bonds2

About 2-(5-chloro-2,4-difluorophenyl)-3-pyridin-2-ylpyridine

2-(5-chloro-2,4-difluorophenyl)-3-pyridin-2-ylpyridine (PubChem CID 90095092) has the molecular formula C16H9ClF2N2 and a molecular weight of 302.71 g/mol. Its IUPAC name is 2-(5-chloro-2,4-difluorophenyl)-3-pyridin-2-ylpyridine.

Molecular Properties

Compound Name2-(5-chloro-2,4-difluorophenyl)-3-pyridin-2-ylpyridine
PubChem CID90095092
Molecular FormulaC16H9ClF2N2
Molecular Weight302.71 g/mol
Exact Mass302.04
IUPAC Name2-(5-chloro-2,4-difluorophenyl)-3-pyridin-2-ylpyridine
SMILESFc1cc(F)c(-c2ncccc2-c2ccccn2)cc1Cl
InChIInChI=1S/C16H9ClF2N2/c17-12-8-11(13(18)9-14(12)19)16-10(4-3-7-21-16)15-5-1-2-6-20-15/h1-9H
InChIKeyUZRYDDMXAPSTOP-UHFFFAOYSA-N
XLogP4.74
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.71
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2,4-difluorophenyl)-3-pyridin-2-ylpyridine?
The IUPAC name of 2-(5-chloro-2,4-difluorophenyl)-3-pyridin-2-ylpyridine (CID 90095092) is 2-(5-chloro-2,4-difluorophenyl)-3-pyridin-2-ylpyridine.
What is the SMILES notation for 2-(5-chloro-2,4-difluorophenyl)-3-pyridin-2-ylpyridine?
The canonical SMILES for 2-(5-chloro-2,4-difluorophenyl)-3-pyridin-2-ylpyridine is Fc1cc(F)c(-c2ncccc2-c2ccccn2)cc1Cl.
What is the InChIKey of 2-(5-chloro-2,4-difluorophenyl)-3-pyridin-2-ylpyridine?
The InChIKey is UZRYDDMXAPSTOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClF2N2/c17-12-8-11(13(18)9-14(12)19)16-10(4-3-7-21-16)15-5-1-2-6-20-15/h1-9H.
What are the key properties of 2-(5-chloro-2,4-difluorophenyl)-3-pyridin-2-ylpyridine?
2-(5-chloro-2,4-difluorophenyl)-3-pyridin-2-ylpyridine has a molecular weight of 302.71 g/mol, XLogP of 4.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2,4-difluorophenyl)-3-pyridin-2-ylpyridine is sourced from PubChem (CID 90095092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).