[5-(2-chloropyrimidin-4-yl)-7-fluoroindazol-1-yl]-iodophosphane

C11H6ClFIN4P — CID 145449277

IUPAC[5-(2-chloropyrimidin-4-yl)-7-fluoroindazol-1-yl]-iodophosphane
SMILESFc1cc(-c2ccnc(Cl)n2)cc2cnn(PI)c12
InChIInChI=1S/C11H6ClFIN4P/c12-11-15-2-1-9(17-11)6-3-7-5-16-18(19-14)10(7)8(13)4-6/h1-5,19H
InChIKeyDXZZGACYVDRMEW-UHFFFAOYSA-N
MW406.53 g/mol
LogP4.08
Rot. Bonds2

About [5-(2-chloropyrimidin-4-yl)-7-fluoroindazol-1-yl]-iodophosphane

[5-(2-chloropyrimidin-4-yl)-7-fluoroindazol-1-yl]-iodophosphane (PubChem CID 145449277) has the molecular formula C11H6ClFIN4P and a molecular weight of 406.53 g/mol. Its IUPAC name is [5-(2-chloropyrimidin-4-yl)-7-fluoroindazol-1-yl]-iodophosphane.

Molecular Properties

Compound Name[5-(2-chloropyrimidin-4-yl)-7-fluoroindazol-1-yl]-iodophosphane
PubChem CID145449277
Molecular FormulaC11H6ClFIN4P
Molecular Weight406.53 g/mol
Exact Mass405.90
IUPAC Name[5-(2-chloropyrimidin-4-yl)-7-fluoroindazol-1-yl]-iodophosphane
SMILESFc1cc(-c2ccnc(Cl)n2)cc2cnn(PI)c12
InChIInChI=1S/C11H6ClFIN4P/c12-11-15-2-1-9(17-11)6-3-7-5-16-18(19-14)10(7)8(13)4-6/h1-5,19H
InChIKeyDXZZGACYVDRMEW-UHFFFAOYSA-N
XLogP4.08
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [5-(2-chloropyrimidin-4-yl)-7-fluoroindazol-1-yl]-iodophosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(2-chloropyrimidin-4-yl)-2-fluorophenyl]ethanone
CID 24901971
2-chloro-4-[3-phenyl-5-(4-phenylphenyl)phenyl]pyrimidine
CID 118029072
5-(2-chloropyrimidin-4-yl)-2-fluorobenzonitrile
CID 24901883
6-(2-chloropyrimidin-4-yl)-2-(difluoromethyl)-4-fluoro-1-propan-2-ylbenzimidazole
CID 138622361
2-chloro-4-[2-(trifluoromethyl)pyrimidin-5-yl]pyrimidine
CID 174796862
6-(2-chloropyrimidin-4-yl)-4-fluoro-1-propan-2-yl-2-propan-2-yloxybenzimidazole
CID 138622320
2-chloro-4-(3-fluoro-5-piperazin-1-ylphenyl)pyrimidine
CID 59588234
6-(2-chloropyrimidin-4-yl)-8-fluoro-2-methyl-3-propan-2-ylimidazo[1,2-a]pyridine
CID 170144444
2-chloro-4-naphthalen-2-ylpyrimidine;ethane
CID 90837684
2-chloro-4-(5-chloro-2-fluoro-4-pyridinyl)pyrimidine
CID 88919519
2-chloro-4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]pyrimidine
CID 22037213
2-chloro-4-(3-methylphenyl)pyrimidine
CID 24901884

Frequently Asked Questions

What is the IUPAC name of [5-(2-chloropyrimidin-4-yl)-7-fluoroindazol-1-yl]-iodophosphane?
The IUPAC name of [5-(2-chloropyrimidin-4-yl)-7-fluoroindazol-1-yl]-iodophosphane (CID 145449277) is [5-(2-chloropyrimidin-4-yl)-7-fluoroindazol-1-yl]-iodophosphane.
What is the SMILES notation for [5-(2-chloropyrimidin-4-yl)-7-fluoroindazol-1-yl]-iodophosphane?
The canonical SMILES for [5-(2-chloropyrimidin-4-yl)-7-fluoroindazol-1-yl]-iodophosphane is Fc1cc(-c2ccnc(Cl)n2)cc2cnn(PI)c12.
What is the InChIKey of [5-(2-chloropyrimidin-4-yl)-7-fluoroindazol-1-yl]-iodophosphane?
The InChIKey is DXZZGACYVDRMEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClFIN4P/c12-11-15-2-1-9(17-11)6-3-7-5-16-18(19-14)10(7)8(13)4-6/h1-5,19H.
What are the key properties of [5-(2-chloropyrimidin-4-yl)-7-fluoroindazol-1-yl]-iodophosphane?
[5-(2-chloropyrimidin-4-yl)-7-fluoroindazol-1-yl]-iodophosphane has a molecular weight of 406.53 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-chloropyrimidin-4-yl)-7-fluoroindazol-1-yl]-iodophosphane is sourced from PubChem (CID 145449277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).