(3,5-dichloro-7-fluoro-4-methylindazol-1-yl)-iodophosphane

C8H5Cl2FIN2P — CID 163388873

IUPAC(3,5-dichloro-7-fluoro-4-methylindazol-1-yl)-iodophosphane
SMILESCc1c(Cl)cc(F)c2c1c(Cl)nn2PI
InChIInChI=1S/C8H5Cl2FIN2P/c1-3-4(9)2-5(11)7-6(3)8(10)13-14(7)15-12/h2,15H,1H3
InChIKeyYPAYAAQYUPEPKW-UHFFFAOYSA-N
MW376.92 g/mol
LogP4.58
Rot. Bonds1

About (3,5-dichloro-7-fluoro-4-methylindazol-1-yl)-iodophosphane

(3,5-dichloro-7-fluoro-4-methylindazol-1-yl)-iodophosphane (PubChem CID 163388873) has the molecular formula C8H5Cl2FIN2P and a molecular weight of 376.92 g/mol. Its IUPAC name is (3,5-dichloro-7-fluoro-4-methylindazol-1-yl)-iodophosphane.

Molecular Properties

Compound Name(3,5-dichloro-7-fluoro-4-methylindazol-1-yl)-iodophosphane
PubChem CID163388873
Molecular FormulaC8H5Cl2FIN2P
Molecular Weight376.92 g/mol
Exact Mass375.86
IUPAC Name(3,5-dichloro-7-fluoro-4-methylindazol-1-yl)-iodophosphane
SMILESCc1c(Cl)cc(F)c2c1c(Cl)nn2PI
InChIInChI=1S/C8H5Cl2FIN2P/c1-3-4(9)2-5(11)7-6(3)8(10)13-14(7)15-12/h2,15H,1H3
InChIKeyYPAYAAQYUPEPKW-UHFFFAOYSA-N
XLogP4.58
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.92
LogP ≤ 54.58
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

(5-chloro-7-fluoro-4-methylindazol-1-yl)-iodophosphane;ethane
CID 163388891
3-chloro-5-fluoro-2,6-dimethylbenzaldehyde
CID 84732821
(6-chloro-4-fluoroindazol-1-yl)-iodophosphane;ethane
CID 176566714
1-iodophosphanyl-5-methylpyrazol-3-amine
CID 169156073
1,5-dichloro-3-fluoro-2-methylbenzene;ethane
CID 142574555
6-chloro-4-fluoro-3,5-dimethyl-2H-indazole
CID 176567059
2-bromo-4-chloro-6-fluoro-3-methylbenzaldehyde
CID 139346154
1,5-dichloro-2,3,4-trimethylbenzene
CID 21488192
1,3-dichloro-4-fluoro-2-methylbenzene
CID 11830014
2,4-dichloro-8-fluoro-6-iodo-5-methylquinazoline
CID 170624317
3-(4-chloro-2-fluoro-5-iodophenyl)-1,4-dimethylpyrazole-5-carbonitrile
CID 18326232
1-chloro-5-(difluoromethyl)-3-fluoro-2-methylbenzene
CID 131169868

Frequently Asked Questions

What is the IUPAC name of (3,5-dichloro-7-fluoro-4-methylindazol-1-yl)-iodophosphane?
The IUPAC name of (3,5-dichloro-7-fluoro-4-methylindazol-1-yl)-iodophosphane (CID 163388873) is (3,5-dichloro-7-fluoro-4-methylindazol-1-yl)-iodophosphane.
What is the SMILES notation for (3,5-dichloro-7-fluoro-4-methylindazol-1-yl)-iodophosphane?
The canonical SMILES for (3,5-dichloro-7-fluoro-4-methylindazol-1-yl)-iodophosphane is Cc1c(Cl)cc(F)c2c1c(Cl)nn2PI.
What is the InChIKey of (3,5-dichloro-7-fluoro-4-methylindazol-1-yl)-iodophosphane?
The InChIKey is YPAYAAQYUPEPKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl2FIN2P/c1-3-4(9)2-5(11)7-6(3)8(10)13-14(7)15-12/h2,15H,1H3.
What are the key properties of (3,5-dichloro-7-fluoro-4-methylindazol-1-yl)-iodophosphane?
(3,5-dichloro-7-fluoro-4-methylindazol-1-yl)-iodophosphane has a molecular weight of 376.92 g/mol, XLogP of 4.58, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dichloro-7-fluoro-4-methylindazol-1-yl)-iodophosphane is sourced from PubChem (CID 163388873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).