(3-chloro-6-fluoro-9H-pyrido[2,3-b]indol-8-yl)-methylcarbamic acid

C13H9ClFN3O2 — CID 135346484

IUPAC(3-chloro-6-fluoro-9H-pyrido[2,3-b]indol-8-yl)-methylcarbamic acid
SMILESCN(C(=O)O)c1cc(F)cc2c1[nH]c1ncc(Cl)cc12
InChIInChI=1S/C13H9ClFN3O2/c1-18(13(19)20)10-4-7(15)3-8-9-2-6(14)5-16-12(9)17-11(8)10/h2-5H,1H3,(H,16,17)(H,19,20)
InChIKeyDMLFFHVLAVJVEP-UHFFFAOYSA-N
MW293.69 g/mol
LogP3.62
Rot. Bonds1

About (3-chloro-6-fluoro-9H-pyrido[2,3-b]indol-8-yl)-methylcarbamic acid

(3-chloro-6-fluoro-9H-pyrido[2,3-b]indol-8-yl)-methylcarbamic acid (PubChem CID 135346484) has the molecular formula C13H9ClFN3O2 and a molecular weight of 293.69 g/mol. Its IUPAC name is (3-chloro-6-fluoro-9H-pyrido[2,3-b]indol-8-yl)-methylcarbamic acid.

Molecular Properties

Compound Name(3-chloro-6-fluoro-9H-pyrido[2,3-b]indol-8-yl)-methylcarbamic acid
PubChem CID135346484
Molecular FormulaC13H9ClFN3O2
Molecular Weight293.69 g/mol
Exact Mass293.04
IUPAC Name(3-chloro-6-fluoro-9H-pyrido[2,3-b]indol-8-yl)-methylcarbamic acid
SMILESCN(C(=O)O)c1cc(F)cc2c1[nH]c1ncc(Cl)cc12
InChIInChI=1S/C13H9ClFN3O2/c1-18(13(19)20)10-4-7(15)3-8-9-2-6(14)5-16-12(9)17-11(8)10/h2-5H,1H3,(H,16,17)(H,19,20)
InChIKeyDMLFFHVLAVJVEP-UHFFFAOYSA-N
XLogP3.62
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.69
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-chloro-6-fluoro-9H-pyrido[2,3-b]indol-8-yl)-methylcarbamic acid?
The IUPAC name of (3-chloro-6-fluoro-9H-pyrido[2,3-b]indol-8-yl)-methylcarbamic acid (CID 135346484) is (3-chloro-6-fluoro-9H-pyrido[2,3-b]indol-8-yl)-methylcarbamic acid.
What is the SMILES notation for (3-chloro-6-fluoro-9H-pyrido[2,3-b]indol-8-yl)-methylcarbamic acid?
The canonical SMILES for (3-chloro-6-fluoro-9H-pyrido[2,3-b]indol-8-yl)-methylcarbamic acid is CN(C(=O)O)c1cc(F)cc2c1[nH]c1ncc(Cl)cc12.
What is the InChIKey of (3-chloro-6-fluoro-9H-pyrido[2,3-b]indol-8-yl)-methylcarbamic acid?
The InChIKey is DMLFFHVLAVJVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFN3O2/c1-18(13(19)20)10-4-7(15)3-8-9-2-6(14)5-16-12(9)17-11(8)10/h2-5H,1H3,(H,16,17)(H,19,20).
What are the key properties of (3-chloro-6-fluoro-9H-pyrido[2,3-b]indol-8-yl)-methylcarbamic acid?
(3-chloro-6-fluoro-9H-pyrido[2,3-b]indol-8-yl)-methylcarbamic acid has a molecular weight of 293.69 g/mol, XLogP of 3.62, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-6-fluoro-9H-pyrido[2,3-b]indol-8-yl)-methylcarbamic acid is sourced from PubChem (CID 135346484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).