5,8-difluoro-9H-pyrido[2,3-b]indole

C11H6F2N2 — CID 42611843

IUPAC5,8-difluoro-9H-pyrido[2,3-b]indole
SMILESFc1ccc(F)c2c1[nH]c1ncccc12
InChIInChI=1S/C11H6F2N2/c12-7-3-4-8(13)10-9(7)6-2-1-5-14-11(6)15-10/h1-5H,(H,14,15)
InChIKeyYCKKSCAWZSAPAL-UHFFFAOYSA-N
MW204.18 g/mol
LogP2.99
Rot. Bonds

About 5,8-difluoro-9H-pyrido[2,3-b]indole

5,8-difluoro-9H-pyrido[2,3-b]indole (PubChem CID 42611843) has the molecular formula C11H6F2N2 and a molecular weight of 204.18 g/mol. Its IUPAC name is 5,8-difluoro-9H-pyrido[2,3-b]indole.

Molecular Properties

Compound Name5,8-difluoro-9H-pyrido[2,3-b]indole
PubChem CID42611843
Molecular FormulaC11H6F2N2
Molecular Weight204.18 g/mol
Exact Mass204.05
IUPAC Name5,8-difluoro-9H-pyrido[2,3-b]indole
SMILESFc1ccc(F)c2c1[nH]c1ncccc12
InChIInChI=1S/C11H6F2N2/c12-7-3-4-8(13)10-9(7)6-2-1-5-14-11(6)15-10/h1-5H,(H,14,15)
InChIKeyYCKKSCAWZSAPAL-UHFFFAOYSA-N
XLogP2.99
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.18
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-fluoro-1H-pyrrolo[2,3-b]pyridine
CID 20784528
5-chloro-8-propan-2-yl-9H-pyrido[2,3-b]indole
CID 172571034
9,17,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione
CID 24780250
8-bromo-11,13-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene
CID 134348755
4,5,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,10,12-pentaen-6-one
CID 164745391
2,3-dimethyl-1H-1,8-naphthyridine-4-thione
CID 142013352
6-phenyl-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
CID 15319205
3-thia-14,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),4,7,10(15),11,13-heptaene
CID 144569176
[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanol
CID 95849492
3,5,15,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene
CID 142468812
9-(hydroxymethyl)-4,9,17,19-tetrazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1,6,11,13(18),14,16-hexaene-3,5,8,10-tetrone
CID 102348712
9H-pyrido[2,3-b]indole;2H-triazole
CID 67361735

Frequently Asked Questions

What is the IUPAC name of 5,8-difluoro-9H-pyrido[2,3-b]indole?
The IUPAC name of 5,8-difluoro-9H-pyrido[2,3-b]indole (CID 42611843) is 5,8-difluoro-9H-pyrido[2,3-b]indole.
What is the SMILES notation for 5,8-difluoro-9H-pyrido[2,3-b]indole?
The canonical SMILES for 5,8-difluoro-9H-pyrido[2,3-b]indole is Fc1ccc(F)c2c1[nH]c1ncccc12.
What is the InChIKey of 5,8-difluoro-9H-pyrido[2,3-b]indole?
The InChIKey is YCKKSCAWZSAPAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F2N2/c12-7-3-4-8(13)10-9(7)6-2-1-5-14-11(6)15-10/h1-5H,(H,14,15).
What are the key properties of 5,8-difluoro-9H-pyrido[2,3-b]indole?
5,8-difluoro-9H-pyrido[2,3-b]indole has a molecular weight of 204.18 g/mol, XLogP of 2.99, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-difluoro-9H-pyrido[2,3-b]indole is sourced from PubChem (CID 42611843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).