(5-fluoro-4,6-dimethylpyrrolo[2,3-b]pyridin-1-yl)phosphane

C9H10FN2P — CID 167286817

IUPAC(5-fluoro-4,6-dimethylpyrrolo[2,3-b]pyridin-1-yl)phosphane
SMILESCc1nc2c(ccn2P)c(C)c1F
InChIInChI=1S/C9H10FN2P/c1-5-7-3-4-12(13)9(7)11-6(2)8(5)10/h3-4H,13H2,1-2H3
InChIKeyWGZOPCJEMLHWEB-UHFFFAOYSA-N
MW196.16 g/mol
LogP2.43
Rot. Bonds

About (5-fluoro-4,6-dimethylpyrrolo[2,3-b]pyridin-1-yl)phosphane

(5-fluoro-4,6-dimethylpyrrolo[2,3-b]pyridin-1-yl)phosphane (PubChem CID 167286817) has the molecular formula C9H10FN2P and a molecular weight of 196.16 g/mol. Its IUPAC name is (5-fluoro-4,6-dimethylpyrrolo[2,3-b]pyridin-1-yl)phosphane.

Molecular Properties

Compound Name(5-fluoro-4,6-dimethylpyrrolo[2,3-b]pyridin-1-yl)phosphane
PubChem CID167286817
Molecular FormulaC9H10FN2P
Molecular Weight196.16 g/mol
Exact Mass196.06
IUPAC Name(5-fluoro-4,6-dimethylpyrrolo[2,3-b]pyridin-1-yl)phosphane
SMILESCc1nc2c(ccn2P)c(C)c1F
InChIInChI=1S/C9H10FN2P/c1-5-7-3-4-12(13)9(7)11-6(2)8(5)10/h3-4H,13H2,1-2H3
InChIKeyWGZOPCJEMLHWEB-UHFFFAOYSA-N
XLogP2.43
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.16
LogP ≤ 52.43
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 (5-fluoro-4,6-dimethylpyrrolo[2,3-b]pyridin-1-yl)phosphane?
The IUPAC name of (5-fluoro-4,6-dimethylpyrrolo[2,3-b]pyridin-1-yl)phosphane (CID 167286817) is (5-fluoro-4,6-dimethylpyrrolo[2,3-b]pyridin-1-yl)phosphane.
What is the SMILES notation for (5-fluoro-4,6-dimethylpyrrolo[2,3-b]pyridin-1-yl)phosphane?
The canonical SMILES for (5-fluoro-4,6-dimethylpyrrolo[2,3-b]pyridin-1-yl)phosphane is Cc1nc2c(ccn2P)c(C)c1F.
What is the InChIKey of (5-fluoro-4,6-dimethylpyrrolo[2,3-b]pyridin-1-yl)phosphane?
The InChIKey is WGZOPCJEMLHWEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN2P/c1-5-7-3-4-12(13)9(7)11-6(2)8(5)10/h3-4H,13H2,1-2H3.
What are the key properties of (5-fluoro-4,6-dimethylpyrrolo[2,3-b]pyridin-1-yl)phosphane?
(5-fluoro-4,6-dimethylpyrrolo[2,3-b]pyridin-1-yl)phosphane has a molecular weight of 196.16 g/mol, XLogP of 2.43, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-4,6-dimethylpyrrolo[2,3-b]pyridin-1-yl)phosphane is sourced from PubChem (CID 167286817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).