(6-chloro-4-fluoroindazol-1-yl)-iodophosphane;ethane

C11H16ClFIN2P — CID 176566714

IUPAC(6-chloro-4-fluoroindazol-1-yl)-iodophosphane;ethane
SMILESCC.CC.Fc1cc(Cl)cc2c1cnn2PI
InChIInChI=1S/C7H4ClFIN2P.2C2H6/c8-4-1-6(9)5-3-11-12(13-10)7(5)2-4;2*1-2/h1-3,13H;2*1-2H3
InChIKeySCVCJDZOVNUOQM-UHFFFAOYSA-N
MW388.59 g/mol
LogP5.67
Rot. Bonds1

About (6-chloro-4-fluoroindazol-1-yl)-iodophosphane;ethane

(6-chloro-4-fluoroindazol-1-yl)-iodophosphane;ethane (PubChem CID 176566714) has the molecular formula C11H16ClFIN2P and a molecular weight of 388.59 g/mol. Its IUPAC name is (6-chloro-4-fluoroindazol-1-yl)-iodophosphane;ethane.

Molecular Properties

Compound Name(6-chloro-4-fluoroindazol-1-yl)-iodophosphane;ethane
PubChem CID176566714
Molecular FormulaC11H16ClFIN2P
Molecular Weight388.59 g/mol
Exact Mass387.98
IUPAC Name(6-chloro-4-fluoroindazol-1-yl)-iodophosphane;ethane
SMILESCC.CC.Fc1cc(Cl)cc2c1cnn2PI
InChIInChI=1S/C7H4ClFIN2P.2C2H6/c8-4-1-6(9)5-3-11-12(13-10)7(5)2-4;2*1-2/h1-3,13H;2*1-2H3
InChIKeySCVCJDZOVNUOQM-UHFFFAOYSA-N
XLogP5.67
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.59
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-4-fluoro-1-methylindazole
CID 141365028
(4-bromo-6-chloroindazol-1-yl)-iodophosphane;cyclopropane;ethanol
CID 177329741
(5-chloro-7-fluoro-4-methylindazol-1-yl)-iodophosphane;ethane
CID 163388891
methyl 5-chloro-6-fluoro-1-iodophosphanylindazole-4-carboxylate
CID 170283489
CID 176974593
CID 176974593
4-(4-bromo-6-chloro-1-iodophosphanylindazol-5-yl)butan-2-one
CID 177329994
6-chloro-1-iodophosphanylpyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 171067304
3,7-dichloro-5-fluoroisoquinoline
CID 142492499
(E)-3-(5-fluoro-1-iodophosphanylindazol-6-yl)prop-2-enal
CID 176936906
4-chloro-7-fluoro-1-methylindazole
CID 171662404
1-(bromomethyl)-5-chloro-3-fluoro-2-methoxybenzene
CID 131593007
1-bromo-5-chloro-3-fluoro-2-methoxybenzene
CID 3863039

Frequently Asked Questions

What is the IUPAC name of (6-chloro-4-fluoroindazol-1-yl)-iodophosphane;ethane?
The IUPAC name of (6-chloro-4-fluoroindazol-1-yl)-iodophosphane;ethane (CID 176566714) is (6-chloro-4-fluoroindazol-1-yl)-iodophosphane;ethane.
What is the SMILES notation for (6-chloro-4-fluoroindazol-1-yl)-iodophosphane;ethane?
The canonical SMILES for (6-chloro-4-fluoroindazol-1-yl)-iodophosphane;ethane is CC.CC.Fc1cc(Cl)cc2c1cnn2PI.
What is the InChIKey of (6-chloro-4-fluoroindazol-1-yl)-iodophosphane;ethane?
The InChIKey is SCVCJDZOVNUOQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClFIN2P.2C2H6/c8-4-1-6(9)5-3-11-12(13-10)7(5)2-4;2*1-2/h1-3,13H;2*1-2H3.
What are the key properties of (6-chloro-4-fluoroindazol-1-yl)-iodophosphane;ethane?
(6-chloro-4-fluoroindazol-1-yl)-iodophosphane;ethane has a molecular weight of 388.59 g/mol, XLogP of 5.67, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-4-fluoroindazol-1-yl)-iodophosphane;ethane is sourced from PubChem (CID 176566714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).