(3-chloro-5-fluoro-1-methylindol-2-yl) hydrogen carbonate

C10H7ClFNO3 — CID 67803265

IUPAC(3-chloro-5-fluoro-1-methylindol-2-yl) hydrogen carbonate
SMILESCn1c(OC(=O)O)c(Cl)c2cc(F)ccc21
InChIInChI=1S/C10H7ClFNO3/c1-13-7-3-2-5(12)4-6(7)8(11)9(13)16-10(14)15/h2-4H,1H3,(H,14,15)
InChIKeyKIEYJRMRIBDJIZ-UHFFFAOYSA-N
MW243.62 g/mol
LogP3.03
Rot. Bonds1

About (3-chloro-5-fluoro-1-methylindol-2-yl) hydrogen carbonate

(3-chloro-5-fluoro-1-methylindol-2-yl) hydrogen carbonate (PubChem CID 67803265) has the molecular formula C10H7ClFNO3 and a molecular weight of 243.62 g/mol. Its IUPAC name is (3-chloro-5-fluoro-1-methylindol-2-yl) hydrogen carbonate.

Molecular Properties

Compound Name(3-chloro-5-fluoro-1-methylindol-2-yl) hydrogen carbonate
PubChem CID67803265
Molecular FormulaC10H7ClFNO3
Molecular Weight243.62 g/mol
Exact Mass243.01
IUPAC Name(3-chloro-5-fluoro-1-methylindol-2-yl) hydrogen carbonate
SMILESCn1c(OC(=O)O)c(Cl)c2cc(F)ccc21
InChIInChI=1S/C10H7ClFNO3/c1-13-7-3-2-5(12)4-6(7)8(11)9(13)16-10(14)15/h2-4H,1H3,(H,14,15)
InChIKeyKIEYJRMRIBDJIZ-UHFFFAOYSA-N
XLogP3.03
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.62
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-chloro-5-fluoro-1-methylindol-2-yl) hydrogen carbonate?
The IUPAC name of (3-chloro-5-fluoro-1-methylindol-2-yl) hydrogen carbonate (CID 67803265) is (3-chloro-5-fluoro-1-methylindol-2-yl) hydrogen carbonate.
What is the SMILES notation for (3-chloro-5-fluoro-1-methylindol-2-yl) hydrogen carbonate?
The canonical SMILES for (3-chloro-5-fluoro-1-methylindol-2-yl) hydrogen carbonate is Cn1c(OC(=O)O)c(Cl)c2cc(F)ccc21.
What is the InChIKey of (3-chloro-5-fluoro-1-methylindol-2-yl) hydrogen carbonate?
The InChIKey is KIEYJRMRIBDJIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClFNO3/c1-13-7-3-2-5(12)4-6(7)8(11)9(13)16-10(14)15/h2-4H,1H3,(H,14,15).
What are the key properties of (3-chloro-5-fluoro-1-methylindol-2-yl) hydrogen carbonate?
(3-chloro-5-fluoro-1-methylindol-2-yl) hydrogen carbonate has a molecular weight of 243.62 g/mol, XLogP of 3.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-5-fluoro-1-methylindol-2-yl) hydrogen carbonate is sourced from PubChem (CID 67803265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).