(3-chloro-5-cyano-6-fluoro-9H-pyrido[2,3-b]indol-8-yl) N-methylcarbamate

C14H8ClFN4O2 — CID 135346331

IUPAC(3-chloro-5-cyano-6-fluoro-9H-pyrido[2,3-b]indol-8-yl) N-methylcarbamate
SMILESCNC(=O)Oc1cc(F)c(C#N)c2c1[nH]c1ncc(Cl)cc12
InChIInChI=1S/C14H8ClFN4O2/c1-18-14(21)22-10-3-9(16)8(4-17)11-7-2-6(15)5-19-13(7)20-12(10)11/h2-3,5H,1H3,(H,18,21)(H,19,20)
InChIKeyRPHCKYAHMMJLFI-UHFFFAOYSA-N
MW318.70 g/mol
LogP3.10
Rot. Bonds1

About (3-chloro-5-cyano-6-fluoro-9H-pyrido[2,3-b]indol-8-yl) N-methylcarbamate

(3-chloro-5-cyano-6-fluoro-9H-pyrido[2,3-b]indol-8-yl) N-methylcarbamate (PubChem CID 135346331) has the molecular formula C14H8ClFN4O2 and a molecular weight of 318.70 g/mol. Its IUPAC name is (3-chloro-5-cyano-6-fluoro-9H-pyrido[2,3-b]indol-8-yl) N-methylcarbamate.

Molecular Properties

Compound Name(3-chloro-5-cyano-6-fluoro-9H-pyrido[2,3-b]indol-8-yl) N-methylcarbamate
PubChem CID135346331
Molecular FormulaC14H8ClFN4O2
Molecular Weight318.70 g/mol
Exact Mass318.03
IUPAC Name(3-chloro-5-cyano-6-fluoro-9H-pyrido[2,3-b]indol-8-yl) N-methylcarbamate
SMILESCNC(=O)Oc1cc(F)c(C#N)c2c1[nH]c1ncc(Cl)cc12
InChIInChI=1S/C14H8ClFN4O2/c1-18-14(21)22-10-3-9(16)8(4-17)11-7-2-6(15)5-19-13(7)20-12(10)11/h2-3,5H,1H3,(H,18,21)(H,19,20)
InChIKeyRPHCKYAHMMJLFI-UHFFFAOYSA-N
XLogP3.10
TPSA90.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.70
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-chloro-5-cyano-6-fluoro-9H-pyrido[2,3-b]indol-8-yl) N-methylcarbamate?
The IUPAC name of (3-chloro-5-cyano-6-fluoro-9H-pyrido[2,3-b]indol-8-yl) N-methylcarbamate (CID 135346331) is (3-chloro-5-cyano-6-fluoro-9H-pyrido[2,3-b]indol-8-yl) N-methylcarbamate.
What is the SMILES notation for (3-chloro-5-cyano-6-fluoro-9H-pyrido[2,3-b]indol-8-yl) N-methylcarbamate?
The canonical SMILES for (3-chloro-5-cyano-6-fluoro-9H-pyrido[2,3-b]indol-8-yl) N-methylcarbamate is CNC(=O)Oc1cc(F)c(C#N)c2c1[nH]c1ncc(Cl)cc12.
What is the InChIKey of (3-chloro-5-cyano-6-fluoro-9H-pyrido[2,3-b]indol-8-yl) N-methylcarbamate?
The InChIKey is RPHCKYAHMMJLFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClFN4O2/c1-18-14(21)22-10-3-9(16)8(4-17)11-7-2-6(15)5-19-13(7)20-12(10)11/h2-3,5H,1H3,(H,18,21)(H,19,20).
What are the key properties of (3-chloro-5-cyano-6-fluoro-9H-pyrido[2,3-b]indol-8-yl) N-methylcarbamate?
(3-chloro-5-cyano-6-fluoro-9H-pyrido[2,3-b]indol-8-yl) N-methylcarbamate has a molecular weight of 318.70 g/mol, XLogP of 3.10, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-5-cyano-6-fluoro-9H-pyrido[2,3-b]indol-8-yl) N-methylcarbamate is sourced from PubChem (CID 135346331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).