methyl-(3,4,7-trichloro-6-fluoro-9H-pyrido[2,3-b]indol-8-yl)carbamic acid

C13H7Cl3FN3O2 — CID 135346053

IUPACmethyl-(3,4,7-trichloro-6-fluoro-9H-pyrido[2,3-b]indol-8-yl)carbamic acid
SMILESCN(C(=O)O)c1c(Cl)c(F)cc2c1[nH]c1ncc(Cl)c(Cl)c12
InChIInChI=1S/C13H7Cl3FN3O2/c1-20(13(21)22)11-9(16)6(17)2-4-7-8(15)5(14)3-18-12(7)19-10(4)11/h2-3H,1H3,(H,18,19)(H,21,22)
InChIKeyLKATXTCPOVFXSR-UHFFFAOYSA-N
MW362.58 g/mol
LogP4.93
Rot. Bonds1

About methyl-(3,4,7-trichloro-6-fluoro-9H-pyrido[2,3-b]indol-8-yl)carbamic acid

methyl-(3,4,7-trichloro-6-fluoro-9H-pyrido[2,3-b]indol-8-yl)carbamic acid (PubChem CID 135346053) has the molecular formula C13H7Cl3FN3O2 and a molecular weight of 362.58 g/mol. Its IUPAC name is methyl-(3,4,7-trichloro-6-fluoro-9H-pyrido[2,3-b]indol-8-yl)carbamic acid.

Molecular Properties

Compound Namemethyl-(3,4,7-trichloro-6-fluoro-9H-pyrido[2,3-b]indol-8-yl)carbamic acid
PubChem CID135346053
Molecular FormulaC13H7Cl3FN3O2
Molecular Weight362.58 g/mol
Exact Mass360.96
IUPAC Namemethyl-(3,4,7-trichloro-6-fluoro-9H-pyrido[2,3-b]indol-8-yl)carbamic acid
SMILESCN(C(=O)O)c1c(Cl)c(F)cc2c1[nH]c1ncc(Cl)c(Cl)c12
InChIInChI=1S/C13H7Cl3FN3O2/c1-20(13(21)22)11-9(16)6(17)2-4-7-8(15)5(14)3-18-12(7)19-10(4)11/h2-3H,1H3,(H,18,19)(H,21,22)
InChIKeyLKATXTCPOVFXSR-UHFFFAOYSA-N
XLogP4.93
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.58
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl-(3,4,7-trichloro-6-fluoro-9H-pyrido[2,3-b]indol-8-yl)carbamic acid?
The IUPAC name of methyl-(3,4,7-trichloro-6-fluoro-9H-pyrido[2,3-b]indol-8-yl)carbamic acid (CID 135346053) is methyl-(3,4,7-trichloro-6-fluoro-9H-pyrido[2,3-b]indol-8-yl)carbamic acid.
What is the SMILES notation for methyl-(3,4,7-trichloro-6-fluoro-9H-pyrido[2,3-b]indol-8-yl)carbamic acid?
The canonical SMILES for methyl-(3,4,7-trichloro-6-fluoro-9H-pyrido[2,3-b]indol-8-yl)carbamic acid is CN(C(=O)O)c1c(Cl)c(F)cc2c1[nH]c1ncc(Cl)c(Cl)c12.
What is the InChIKey of methyl-(3,4,7-trichloro-6-fluoro-9H-pyrido[2,3-b]indol-8-yl)carbamic acid?
The InChIKey is LKATXTCPOVFXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl3FN3O2/c1-20(13(21)22)11-9(16)6(17)2-4-7-8(15)5(14)3-18-12(7)19-10(4)11/h2-3H,1H3,(H,18,19)(H,21,22).
What are the key properties of methyl-(3,4,7-trichloro-6-fluoro-9H-pyrido[2,3-b]indol-8-yl)carbamic acid?
methyl-(3,4,7-trichloro-6-fluoro-9H-pyrido[2,3-b]indol-8-yl)carbamic acid has a molecular weight of 362.58 g/mol, XLogP of 4.93, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-(3,4,7-trichloro-6-fluoro-9H-pyrido[2,3-b]indol-8-yl)carbamic acid is sourced from PubChem (CID 135346053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).