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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Related Compounds

8-chloro-1-propyl-5-(trifluoromethyl)-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylic acid
CID 11631847
2-(8-chloro-9H-carbazol-1-yl)acetic acid
CID 71340855
8-chloro-5-(trifluoromethyl)-9H-carbazole-1-carboxylate
CID 163199736
7-chloro-2-methyl-1H-indole-3-carboxylic acid
CID 65335248
methyl 2-(4-chlorophenyl)-1H-indole-3-carboxylate
CID 70154233
7-chloro-5-fluoro-4-methyl-1H-indole-3-carboxylic acid
CID 45121043
9-chloro-10-fluoro-6,11-dihydro-5H-benzo[a]carbazole-3-carboxylic acid
CID 57618530
9-Chloro-10-fluoro-5,11-dihydro-6H-benzo[a]carbazole-3-carboxylic acid methyl ester
CID 66904663
2-chloro-6-fluoro-1H-indole-7-carboxylic acid
CID 67017901
3-[[6-chloro-2-(4-fluorophenyl)-1H-indol-3-yl]methyl]benzoic acid
CID 69096916
5-chloro-2-fluoro-1H-indole-7-carboxylic acid
CID 69347656
methyl 7-chloro-2-(trifluoromethyl)-1H-indole-3-carboxylate
CID 141445406

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).