(5-chloro-6-fluoropyrrolo[3,2-b]pyridin-1-yl)phosphane

C7H5ClFN2P — CID 145109424

IUPAC(5-chloro-6-fluoropyrrolo[3,2-b]pyridin-1-yl)phosphane
SMILESFc1cc2c(ccn2P)nc1Cl
InChIInChI=1S/C7H5ClFN2P/c8-7-4(9)3-6-5(10-7)1-2-11(6)12/h1-3H,12H2
InChIKeyZJZIVAURRQSSFZ-UHFFFAOYSA-N
MW202.56 g/mol
LogP2.47
Rot. Bonds

About (5-chloro-6-fluoropyrrolo[3,2-b]pyridin-1-yl)phosphane

(5-chloro-6-fluoropyrrolo[3,2-b]pyridin-1-yl)phosphane (PubChem CID 145109424) has the molecular formula C7H5ClFN2P and a molecular weight of 202.56 g/mol. Its IUPAC name is (5-chloro-6-fluoropyrrolo[3,2-b]pyridin-1-yl)phosphane.

Molecular Properties

Compound Name(5-chloro-6-fluoropyrrolo[3,2-b]pyridin-1-yl)phosphane
PubChem CID145109424
Molecular FormulaC7H5ClFN2P
Molecular Weight202.56 g/mol
Exact Mass201.99
IUPAC Name(5-chloro-6-fluoropyrrolo[3,2-b]pyridin-1-yl)phosphane
SMILESFc1cc2c(ccn2P)nc1Cl
InChIInChI=1S/C7H5ClFN2P/c8-7-4(9)3-6-5(10-7)1-2-11(6)12/h1-3H,12H2
InChIKeyZJZIVAURRQSSFZ-UHFFFAOYSA-N
XLogP2.47
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.56
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-6-fluoropyrrolo[3,2-b]pyridin-1-yl)phosphane?
The IUPAC name of (5-chloro-6-fluoropyrrolo[3,2-b]pyridin-1-yl)phosphane (CID 145109424) is (5-chloro-6-fluoropyrrolo[3,2-b]pyridin-1-yl)phosphane.
What is the SMILES notation for (5-chloro-6-fluoropyrrolo[3,2-b]pyridin-1-yl)phosphane?
The canonical SMILES for (5-chloro-6-fluoropyrrolo[3,2-b]pyridin-1-yl)phosphane is Fc1cc2c(ccn2P)nc1Cl.
What is the InChIKey of (5-chloro-6-fluoropyrrolo[3,2-b]pyridin-1-yl)phosphane?
The InChIKey is ZJZIVAURRQSSFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClFN2P/c8-7-4(9)3-6-5(10-7)1-2-11(6)12/h1-3H,12H2.
What are the key properties of (5-chloro-6-fluoropyrrolo[3,2-b]pyridin-1-yl)phosphane?
(5-chloro-6-fluoropyrrolo[3,2-b]pyridin-1-yl)phosphane has a molecular weight of 202.56 g/mol, XLogP of 2.47, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-6-fluoropyrrolo[3,2-b]pyridin-1-yl)phosphane is sourced from PubChem (CID 145109424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).