[3-fluoro-5-(3-methylimidazo[1,5-a]pyridin-6-yl)phenyl]phosphane

C14H12FN2P — CID 170265428

IUPAC[3-fluoro-5-(3-methylimidazo[1,5-a]pyridin-6-yl)phenyl]phosphane
SMILESCc1ncc2ccc(-c3cc(F)cc(P)c3)cn12
InChIInChI=1S/C14H12FN2P/c1-9-16-7-13-3-2-10(8-17(9)13)11-4-12(15)6-14(18)5-11/h2-8H,18H2,1H3
InChIKeyXEMIHHIZTLTAQM-UHFFFAOYSA-N
MW258.24 g/mol
LogP2.95
Rot. Bonds1

About [3-fluoro-5-(3-methylimidazo[1,5-a]pyridin-6-yl)phenyl]phosphane

[3-fluoro-5-(3-methylimidazo[1,5-a]pyridin-6-yl)phenyl]phosphane (PubChem CID 170265428) has the molecular formula C14H12FN2P and a molecular weight of 258.24 g/mol. Its IUPAC name is [3-fluoro-5-(3-methylimidazo[1,5-a]pyridin-6-yl)phenyl]phosphane.

Molecular Properties

Compound Name[3-fluoro-5-(3-methylimidazo[1,5-a]pyridin-6-yl)phenyl]phosphane
PubChem CID170265428
Molecular FormulaC14H12FN2P
Molecular Weight258.24 g/mol
Exact Mass258.07
IUPAC Name[3-fluoro-5-(3-methylimidazo[1,5-a]pyridin-6-yl)phenyl]phosphane
SMILESCc1ncc2ccc(-c3cc(F)cc(P)c3)cn12
InChIInChI=1S/C14H12FN2P/c1-9-16-7-13-3-2-10(8-17(9)13)11-4-12(15)6-14(18)5-11/h2-8H,18H2,1H3
InChIKeyXEMIHHIZTLTAQM-UHFFFAOYSA-N
XLogP2.95
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-fluoro-5-(3-methylimidazo[1,5-a]pyridin-6-yl)phenyl]phosphane?
The IUPAC name of [3-fluoro-5-(3-methylimidazo[1,5-a]pyridin-6-yl)phenyl]phosphane (CID 170265428) is [3-fluoro-5-(3-methylimidazo[1,5-a]pyridin-6-yl)phenyl]phosphane.
What is the SMILES notation for [3-fluoro-5-(3-methylimidazo[1,5-a]pyridin-6-yl)phenyl]phosphane?
The canonical SMILES for [3-fluoro-5-(3-methylimidazo[1,5-a]pyridin-6-yl)phenyl]phosphane is Cc1ncc2ccc(-c3cc(F)cc(P)c3)cn12.
What is the InChIKey of [3-fluoro-5-(3-methylimidazo[1,5-a]pyridin-6-yl)phenyl]phosphane?
The InChIKey is XEMIHHIZTLTAQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN2P/c1-9-16-7-13-3-2-10(8-17(9)13)11-4-12(15)6-14(18)5-11/h2-8H,18H2,1H3.
What are the key properties of [3-fluoro-5-(3-methylimidazo[1,5-a]pyridin-6-yl)phenyl]phosphane?
[3-fluoro-5-(3-methylimidazo[1,5-a]pyridin-6-yl)phenyl]phosphane has a molecular weight of 258.24 g/mol, XLogP of 2.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-5-(3-methylimidazo[1,5-a]pyridin-6-yl)phenyl]phosphane is sourced from PubChem (CID 170265428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).