8-chloro-4-fluoro-5-methyl-9H-carbazole-1-carboxylate

C14H8ClFNO2- — CID 163199752

IUPAC8-chloro-4-fluoro-5-methyl-9H-carbazole-1-carboxylate
SMILESCc1ccc(Cl)c2[nH]c3c(C(=O)[O-])ccc(F)c3c12
InChIInChI=1S/C14H9ClFNO2/c1-6-2-4-8(15)13-10(6)11-9(16)5-3-7(14(18)19)12(11)17-13/h2-5,17H,1H3,(H,18,19)/p-1
InChIKeyHPPILTSFNNPAGH-UHFFFAOYSA-M
MW276.67 g/mol
LogP2.79
Rot. Bonds1

About 8-chloro-4-fluoro-5-methyl-9H-carbazole-1-carboxylate

8-chloro-4-fluoro-5-methyl-9H-carbazole-1-carboxylate (PubChem CID 163199752) has the molecular formula C14H8ClFNO2- and a molecular weight of 276.67 g/mol. Its IUPAC name is 8-chloro-4-fluoro-5-methyl-9H-carbazole-1-carboxylate.

Molecular Properties

Compound Name8-chloro-4-fluoro-5-methyl-9H-carbazole-1-carboxylate
PubChem CID163199752
Molecular FormulaC14H8ClFNO2-
Molecular Weight276.67 g/mol
Exact Mass276.02
IUPAC Name8-chloro-4-fluoro-5-methyl-9H-carbazole-1-carboxylate
SMILESCc1ccc(Cl)c2[nH]c3c(C(=O)[O-])ccc(F)c3c12
InChIInChI=1S/C14H9ClFNO2/c1-6-2-4-8(15)13-10(6)11-9(16)5-3-7(14(18)19)12(11)17-13/h2-5,17H,1H3,(H,18,19)/p-1
InChIKeyHPPILTSFNNPAGH-UHFFFAOYSA-M
XLogP2.79
TPSA55.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.67
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-4-fluoro-5-methyl-9H-carbazole-1-carboxylate?
The IUPAC name of 8-chloro-4-fluoro-5-methyl-9H-carbazole-1-carboxylate (CID 163199752) is 8-chloro-4-fluoro-5-methyl-9H-carbazole-1-carboxylate.
What is the SMILES notation for 8-chloro-4-fluoro-5-methyl-9H-carbazole-1-carboxylate?
The canonical SMILES for 8-chloro-4-fluoro-5-methyl-9H-carbazole-1-carboxylate is Cc1ccc(Cl)c2[nH]c3c(C(=O)[O-])ccc(F)c3c12.
What is the InChIKey of 8-chloro-4-fluoro-5-methyl-9H-carbazole-1-carboxylate?
The InChIKey is HPPILTSFNNPAGH-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H9ClFNO2/c1-6-2-4-8(15)13-10(6)11-9(16)5-3-7(14(18)19)12(11)17-13/h2-5,17H,1H3,(H,18,19)/p-1.
What are the key properties of 8-chloro-4-fluoro-5-methyl-9H-carbazole-1-carboxylate?
8-chloro-4-fluoro-5-methyl-9H-carbazole-1-carboxylate has a molecular weight of 276.67 g/mol, XLogP of 2.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-4-fluoro-5-methyl-9H-carbazole-1-carboxylate is sourced from PubChem (CID 163199752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).