(5-chloro-7-fluoro-4-methylindazol-1-yl)-iodophosphane;ethane

C10H12ClFIN2P — CID 163388891

IUPAC(5-chloro-7-fluoro-4-methylindazol-1-yl)-iodophosphane;ethane
SMILESCC.Cc1c(Cl)cc(F)c2c1cnn2PI
InChIInChI=1S/C8H6ClFIN2P.C2H6/c1-4-5-3-12-13(14-11)8(5)7(10)2-6(4)9;1-2/h2-3,14H,1H3;1-2H3
InChIKeyVGJXQMSDGGPKAQ-UHFFFAOYSA-N
MW372.55 g/mol
LogP4.96
Rot. Bonds1

About (5-chloro-7-fluoro-4-methylindazol-1-yl)-iodophosphane;ethane

(5-chloro-7-fluoro-4-methylindazol-1-yl)-iodophosphane;ethane (PubChem CID 163388891) has the molecular formula C10H12ClFIN2P and a molecular weight of 372.55 g/mol. Its IUPAC name is (5-chloro-7-fluoro-4-methylindazol-1-yl)-iodophosphane;ethane.

Molecular Properties

Compound Name(5-chloro-7-fluoro-4-methylindazol-1-yl)-iodophosphane;ethane
PubChem CID163388891
Molecular FormulaC10H12ClFIN2P
Molecular Weight372.55 g/mol
Exact Mass371.95
IUPAC Name(5-chloro-7-fluoro-4-methylindazol-1-yl)-iodophosphane;ethane
SMILESCC.Cc1c(Cl)cc(F)c2c1cnn2PI
InChIInChI=1S/C8H6ClFIN2P.C2H6/c1-4-5-3-12-13(14-11)8(5)7(10)2-6(4)9;1-2/h2-3,14H,1H3;1-2H3
InChIKeyVGJXQMSDGGPKAQ-UHFFFAOYSA-N
XLogP4.96
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.55
LogP ≤ 54.96
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

(3,5-dichloro-7-fluoro-4-methylindazol-1-yl)-iodophosphane
CID 163388873
(6-chloro-4-fluoroindazol-1-yl)-iodophosphane;ethane
CID 176566714
methyl 5-chloro-6-fluoro-1-iodophosphanylindazole-4-carboxylate
CID 170283489
1,5-dichloro-3-fluoro-2-methylbenzene;ethane
CID 142574555
4-chloro-7-fluoro-1-methylindazole
CID 171662404
3-chloro-5-fluoro-2,6-dimethylbenzaldehyde
CID 84732821
4-(4-bromo-6-chloro-1-iodophosphanylindazol-5-yl)butan-2-one
CID 177329994
[6-chloro-4-[[3-fluoro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]pyrazolo[5,4-d]pyrimidin-1-yl]-iodophosphane
CID 172584400
8-chloro-6-fluoro-5-methylquinolin-3-ol
CID 130520853
4-(3-chloro-5-fluoro-4-methylphenyl)-1-methylpyrazol-5-amine
CID 117351877
2-bromo-4-chloro-6-fluoro-3-methylbenzaldehyde
CID 139346154
6-chloro-4-fluoro-1-methylindazole
CID 141365028

Frequently Asked Questions

What is the IUPAC name of (5-chloro-7-fluoro-4-methylindazol-1-yl)-iodophosphane;ethane?
The IUPAC name of (5-chloro-7-fluoro-4-methylindazol-1-yl)-iodophosphane;ethane (CID 163388891) is (5-chloro-7-fluoro-4-methylindazol-1-yl)-iodophosphane;ethane.
What is the SMILES notation for (5-chloro-7-fluoro-4-methylindazol-1-yl)-iodophosphane;ethane?
The canonical SMILES for (5-chloro-7-fluoro-4-methylindazol-1-yl)-iodophosphane;ethane is CC.Cc1c(Cl)cc(F)c2c1cnn2PI.
What is the InChIKey of (5-chloro-7-fluoro-4-methylindazol-1-yl)-iodophosphane;ethane?
The InChIKey is VGJXQMSDGGPKAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClFIN2P.C2H6/c1-4-5-3-12-13(14-11)8(5)7(10)2-6(4)9;1-2/h2-3,14H,1H3;1-2H3.
What are the key properties of (5-chloro-7-fluoro-4-methylindazol-1-yl)-iodophosphane;ethane?
(5-chloro-7-fluoro-4-methylindazol-1-yl)-iodophosphane;ethane has a molecular weight of 372.55 g/mol, XLogP of 4.96, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-7-fluoro-4-methylindazol-1-yl)-iodophosphane;ethane is sourced from PubChem (CID 163388891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).