3-chloro-2-(fluoromethyl)-5-(6-propan-2-yloxy-3-pyridinyl)pyridine

C14H14ClFN2O — CID 130282948

IUPAC3-chloro-2-(fluoromethyl)-5-(6-propan-2-yloxy-3-pyridinyl)pyridine
SMILESCC(C)Oc1ccc(-c2cnc(CF)c(Cl)c2)cn1
InChIInChI=1S/C14H14ClFN2O/c1-9(2)19-14-4-3-10(7-18-14)11-5-12(15)13(6-16)17-8-11/h3-5,7-9H,6H2,1-2H3
InChIKeyFJNJVDABGFPGKF-UHFFFAOYSA-N
MW280.73 g/mol
LogP4.05
Rot. Bonds4

About 3-chloro-2-(fluoromethyl)-5-(6-propan-2-yloxy-3-pyridinyl)pyridine

3-chloro-2-(fluoromethyl)-5-(6-propan-2-yloxy-3-pyridinyl)pyridine (PubChem CID 130282948) has the molecular formula C14H14ClFN2O and a molecular weight of 280.73 g/mol. Its IUPAC name is 3-chloro-2-(fluoromethyl)-5-(6-propan-2-yloxy-3-pyridinyl)pyridine.

Molecular Properties

Compound Name3-chloro-2-(fluoromethyl)-5-(6-propan-2-yloxy-3-pyridinyl)pyridine
PubChem CID130282948
Molecular FormulaC14H14ClFN2O
Molecular Weight280.73 g/mol
Exact Mass280.08
IUPAC Name3-chloro-2-(fluoromethyl)-5-(6-propan-2-yloxy-3-pyridinyl)pyridine
SMILESCC(C)Oc1ccc(-c2cnc(CF)c(Cl)c2)cn1
InChIInChI=1S/C14H14ClFN2O/c1-9(2)19-14-4-3-10(7-18-14)11-5-12(15)13(6-16)17-8-11/h3-5,7-9H,6H2,1-2H3
InChIKeyFJNJVDABGFPGKF-UHFFFAOYSA-N
XLogP4.05
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.73
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(fluoromethyl)-5-(6-propan-2-yloxy-3-pyridinyl)pyridine?
The IUPAC name of 3-chloro-2-(fluoromethyl)-5-(6-propan-2-yloxy-3-pyridinyl)pyridine (CID 130282948) is 3-chloro-2-(fluoromethyl)-5-(6-propan-2-yloxy-3-pyridinyl)pyridine.
What is the SMILES notation for 3-chloro-2-(fluoromethyl)-5-(6-propan-2-yloxy-3-pyridinyl)pyridine?
The canonical SMILES for 3-chloro-2-(fluoromethyl)-5-(6-propan-2-yloxy-3-pyridinyl)pyridine is CC(C)Oc1ccc(-c2cnc(CF)c(Cl)c2)cn1.
What is the InChIKey of 3-chloro-2-(fluoromethyl)-5-(6-propan-2-yloxy-3-pyridinyl)pyridine?
The InChIKey is FJNJVDABGFPGKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2O/c1-9(2)19-14-4-3-10(7-18-14)11-5-12(15)13(6-16)17-8-11/h3-5,7-9H,6H2,1-2H3.
What are the key properties of 3-chloro-2-(fluoromethyl)-5-(6-propan-2-yloxy-3-pyridinyl)pyridine?
3-chloro-2-(fluoromethyl)-5-(6-propan-2-yloxy-3-pyridinyl)pyridine has a molecular weight of 280.73 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(fluoromethyl)-5-(6-propan-2-yloxy-3-pyridinyl)pyridine is sourced from PubChem (CID 130282948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).