2-chloro-5-[5-(1,3-dioxolan-2-yl)-2-pyridinyl]-4-fluoropyridine

C13H10ClFN2O2 — CID 167426374

IUPAC2-chloro-5-[5-(1,3-dioxolan-2-yl)-2-pyridinyl]-4-fluoropyridine
SMILESFc1cc(Cl)ncc1-c1ccc(C2OCCO2)cn1
InChIInChI=1S/C13H10ClFN2O2/c14-12-5-10(15)9(7-17-12)11-2-1-8(6-16-11)13-18-3-4-19-13/h1-2,5-7,13H,3-4H2
InChIKeyFSSGQGRFCKHDGS-UHFFFAOYSA-N
MW280.69 g/mol
LogP2.98
Rot. Bonds2

About 2-chloro-5-[5-(1,3-dioxolan-2-yl)-2-pyridinyl]-4-fluoropyridine

2-chloro-5-[5-(1,3-dioxolan-2-yl)-2-pyridinyl]-4-fluoropyridine (PubChem CID 167426374) has the molecular formula C13H10ClFN2O2 and a molecular weight of 280.69 g/mol. Its IUPAC name is 2-chloro-5-[5-(1,3-dioxolan-2-yl)-2-pyridinyl]-4-fluoropyridine.

Molecular Properties

Compound Name2-chloro-5-[5-(1,3-dioxolan-2-yl)-2-pyridinyl]-4-fluoropyridine
PubChem CID167426374
Molecular FormulaC13H10ClFN2O2
Molecular Weight280.69 g/mol
Exact Mass280.04
IUPAC Name2-chloro-5-[5-(1,3-dioxolan-2-yl)-2-pyridinyl]-4-fluoropyridine
SMILESFc1cc(Cl)ncc1-c1ccc(C2OCCO2)cn1
InChIInChI=1S/C13H10ClFN2O2/c14-12-5-10(15)9(7-17-12)11-2-1-8(6-16-11)13-18-3-4-19-13/h1-2,5-7,13H,3-4H2
InChIKeyFSSGQGRFCKHDGS-UHFFFAOYSA-N
XLogP2.98
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.69
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[5-(1,3-dioxolan-2-yl)-2-pyridinyl]-4-fluoropyridine?
The IUPAC name of 2-chloro-5-[5-(1,3-dioxolan-2-yl)-2-pyridinyl]-4-fluoropyridine (CID 167426374) is 2-chloro-5-[5-(1,3-dioxolan-2-yl)-2-pyridinyl]-4-fluoropyridine.
What is the SMILES notation for 2-chloro-5-[5-(1,3-dioxolan-2-yl)-2-pyridinyl]-4-fluoropyridine?
The canonical SMILES for 2-chloro-5-[5-(1,3-dioxolan-2-yl)-2-pyridinyl]-4-fluoropyridine is Fc1cc(Cl)ncc1-c1ccc(C2OCCO2)cn1.
What is the InChIKey of 2-chloro-5-[5-(1,3-dioxolan-2-yl)-2-pyridinyl]-4-fluoropyridine?
The InChIKey is FSSGQGRFCKHDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFN2O2/c14-12-5-10(15)9(7-17-12)11-2-1-8(6-16-11)13-18-3-4-19-13/h1-2,5-7,13H,3-4H2.
What are the key properties of 2-chloro-5-[5-(1,3-dioxolan-2-yl)-2-pyridinyl]-4-fluoropyridine?
2-chloro-5-[5-(1,3-dioxolan-2-yl)-2-pyridinyl]-4-fluoropyridine has a molecular weight of 280.69 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[5-(1,3-dioxolan-2-yl)-2-pyridinyl]-4-fluoropyridine is sourced from PubChem (CID 167426374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).