methyl 9-chloro-10-fluoro-6,11-dihydro-5H-benzo[a]carbazole-3-carboxylate

C18H13ClFNO2 — CID 66904663

IUPACmethyl 9-chloro-10-fluoro-6,11-dihydro-5H-benzo[a]carbazole-3-carboxylate
SMILESCOC(=O)c1ccc2c(c1)CCc1c-2[nH]c2c(F)c(Cl)ccc12
InChIInChI=1S/C18H13ClFNO2/c1-23-18(22)10-3-4-11-9(8-10)2-5-12-13-6-7-14(19)15(20)17(13)21-16(11)12/h3-4,6-8,21H,2,5H2,1H3
InChIKeyOFWZVTNSBWTBSA-UHFFFAOYSA-N
MW329.76 g/mol
LogP4.51
Rot. Bonds1

About methyl 9-chloro-10-fluoro-6,11-dihydro-5H-benzo[a]carbazole-3-carboxylate

methyl 9-chloro-10-fluoro-6,11-dihydro-5H-benzo[a]carbazole-3-carboxylate (PubChem CID 66904663) has the molecular formula C18H13ClFNO2 and a molecular weight of 329.76 g/mol. Its IUPAC name is methyl 9-chloro-10-fluoro-6,11-dihydro-5H-benzo[a]carbazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 9-chloro-10-fluoro-6,11-dihydro-5H-benzo[a]carbazole-3-carboxylate
PubChem CID66904663
Molecular FormulaC18H13ClFNO2
Molecular Weight329.76 g/mol
Exact Mass329.06
IUPAC Namemethyl 9-chloro-10-fluoro-6,11-dihydro-5H-benzo[a]carbazole-3-carboxylate
SMILESCOC(=O)c1ccc2c(c1)CCc1c-2[nH]c2c(F)c(Cl)ccc12
InChIInChI=1S/C18H13ClFNO2/c1-23-18(22)10-3-4-11-9(8-10)2-5-12-13-6-7-14(19)15(20)17(13)21-16(11)12/h3-4,6-8,21H,2,5H2,1H3
InChIKeyOFWZVTNSBWTBSA-UHFFFAOYSA-N
XLogP4.51
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.76
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl 9-chloro-10-fluoro-6,11-dihydro-5H-benzo[a]carbazole-3-carboxylate?
The IUPAC name of methyl 9-chloro-10-fluoro-6,11-dihydro-5H-benzo[a]carbazole-3-carboxylate (CID 66904663) is methyl 9-chloro-10-fluoro-6,11-dihydro-5H-benzo[a]carbazole-3-carboxylate.
What is the SMILES notation for methyl 9-chloro-10-fluoro-6,11-dihydro-5H-benzo[a]carbazole-3-carboxylate?
The canonical SMILES for methyl 9-chloro-10-fluoro-6,11-dihydro-5H-benzo[a]carbazole-3-carboxylate is COC(=O)c1ccc2c(c1)CCc1c-2[nH]c2c(F)c(Cl)ccc12.
What is the InChIKey of methyl 9-chloro-10-fluoro-6,11-dihydro-5H-benzo[a]carbazole-3-carboxylate?
The InChIKey is OFWZVTNSBWTBSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClFNO2/c1-23-18(22)10-3-4-11-9(8-10)2-5-12-13-6-7-14(19)15(20)17(13)21-16(11)12/h3-4,6-8,21H,2,5H2,1H3.
What are the key properties of methyl 9-chloro-10-fluoro-6,11-dihydro-5H-benzo[a]carbazole-3-carboxylate?
methyl 9-chloro-10-fluoro-6,11-dihydro-5H-benzo[a]carbazole-3-carboxylate has a molecular weight of 329.76 g/mol, XLogP of 4.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 9-chloro-10-fluoro-6,11-dihydro-5H-benzo[a]carbazole-3-carboxylate is sourced from PubChem (CID 66904663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).