2-chloro-4-fluoro-5-[5-(2-fluoropropan-2-yl)-2-pyridinyl]pyridine

C13H11ClF2N2 — CID 167426394

IUPAC2-chloro-4-fluoro-5-[5-(2-fluoropropan-2-yl)-2-pyridinyl]pyridine
SMILESCC(C)(F)c1ccc(-c2cnc(Cl)cc2F)nc1
InChIInChI=1S/C13H11ClF2N2/c1-13(2,16)8-3-4-11(17-6-8)9-7-18-12(14)5-10(9)15/h3-7H,1-2H3
InChIKeySZMIBGPQDISWGJ-UHFFFAOYSA-N
MW268.69 g/mol
LogP4.14
Rot. Bonds2

About 2-chloro-4-fluoro-5-[5-(2-fluoropropan-2-yl)-2-pyridinyl]pyridine

2-chloro-4-fluoro-5-[5-(2-fluoropropan-2-yl)-2-pyridinyl]pyridine (PubChem CID 167426394) has the molecular formula C13H11ClF2N2 and a molecular weight of 268.69 g/mol. Its IUPAC name is 2-chloro-4-fluoro-5-[5-(2-fluoropropan-2-yl)-2-pyridinyl]pyridine.

Molecular Properties

Compound Name2-chloro-4-fluoro-5-[5-(2-fluoropropan-2-yl)-2-pyridinyl]pyridine
PubChem CID167426394
Molecular FormulaC13H11ClF2N2
Molecular Weight268.69 g/mol
Exact Mass268.06
IUPAC Name2-chloro-4-fluoro-5-[5-(2-fluoropropan-2-yl)-2-pyridinyl]pyridine
SMILESCC(C)(F)c1ccc(-c2cnc(Cl)cc2F)nc1
InChIInChI=1S/C13H11ClF2N2/c1-13(2,16)8-3-4-11(17-6-8)9-7-18-12(14)5-10(9)15/h3-7H,1-2H3
InChIKeySZMIBGPQDISWGJ-UHFFFAOYSA-N
XLogP4.14
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.69
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-4-fluoro-5-[5-(2-fluoropropan-2-yl)-2-pyridinyl]pyridine?
The IUPAC name of 2-chloro-4-fluoro-5-[5-(2-fluoropropan-2-yl)-2-pyridinyl]pyridine (CID 167426394) is 2-chloro-4-fluoro-5-[5-(2-fluoropropan-2-yl)-2-pyridinyl]pyridine.
What is the SMILES notation for 2-chloro-4-fluoro-5-[5-(2-fluoropropan-2-yl)-2-pyridinyl]pyridine?
The canonical SMILES for 2-chloro-4-fluoro-5-[5-(2-fluoropropan-2-yl)-2-pyridinyl]pyridine is CC(C)(F)c1ccc(-c2cnc(Cl)cc2F)nc1.
What is the InChIKey of 2-chloro-4-fluoro-5-[5-(2-fluoropropan-2-yl)-2-pyridinyl]pyridine?
The InChIKey is SZMIBGPQDISWGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClF2N2/c1-13(2,16)8-3-4-11(17-6-8)9-7-18-12(14)5-10(9)15/h3-7H,1-2H3.
What are the key properties of 2-chloro-4-fluoro-5-[5-(2-fluoropropan-2-yl)-2-pyridinyl]pyridine?
2-chloro-4-fluoro-5-[5-(2-fluoropropan-2-yl)-2-pyridinyl]pyridine has a molecular weight of 268.69 g/mol, XLogP of 4.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-5-[5-(2-fluoropropan-2-yl)-2-pyridinyl]pyridine is sourced from PubChem (CID 167426394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).