7,8-difluoro-3-pyridin-2-yl-5H-[1,2,4]triazino[5,6-b]indole

C14H7F2N5 — CID 172635167

IUPAC7,8-difluoro-3-pyridin-2-yl-5H-[1,2,4]triazino[5,6-b]indole
SMILESFc1cc2[nH]c3nc(-c4ccccn4)nnc3c2cc1F
InChIInChI=1S/C14H7F2N5/c15-8-5-7-11(6-9(8)16)18-14-12(7)20-21-13(19-14)10-3-1-2-4-17-10/h1-6H,(H,18,19,21)
InChIKeyVNWWIUKHNXFIFA-UHFFFAOYSA-N
MW283.24 g/mol
LogP2.85
Rot. Bonds1

About 7,8-difluoro-3-pyridin-2-yl-5H-[1,2,4]triazino[5,6-b]indole

7,8-difluoro-3-pyridin-2-yl-5H-[1,2,4]triazino[5,6-b]indole (PubChem CID 172635167) has the molecular formula C14H7F2N5 and a molecular weight of 283.24 g/mol. Its IUPAC name is 7,8-difluoro-3-pyridin-2-yl-5H-[1,2,4]triazino[5,6-b]indole.

Molecular Properties

Compound Name7,8-difluoro-3-pyridin-2-yl-5H-[1,2,4]triazino[5,6-b]indole
PubChem CID172635167
Molecular FormulaC14H7F2N5
Molecular Weight283.24 g/mol
Exact Mass283.07
IUPAC Name7,8-difluoro-3-pyridin-2-yl-5H-[1,2,4]triazino[5,6-b]indole
SMILESFc1cc2[nH]c3nc(-c4ccccn4)nnc3c2cc1F
InChIInChI=1S/C14H7F2N5/c15-8-5-7-11(6-9(8)16)18-14-12(7)20-21-13(19-14)10-3-1-2-4-17-10/h1-6H,(H,18,19,21)
InChIKeyVNWWIUKHNXFIFA-UHFFFAOYSA-N
XLogP2.85
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.24
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-difluorophenyl)-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine
CID 146048292
6-phenyl-3-pyridin-2-yl-N-(2,3,4,5-tetrafluorophenyl)-1,2,4-triazin-5-amine
CID 146048319
2,4,6-tripyridin-2-ylpyrimidine
CID 70005539
CID 139150015
CID 139150015
2-(5-pyridin-2-yl-1H-pyrrol-2-yl)pyridine;hydrochloride
CID 172801598
3-pyridin-2-yl-6-(5-pyridin-2-yl-1H-pyrrol-2-yl)pyridazine
CID 59140943
4-fluoro-6-pyridin-2-yl-2,3-dihydro-1H-indene-2-carboxylic acid
CID 170593233
3-[2,6-bis(5-pyridin-2-yl-1,2,4-triazin-3-yl)-4-pyridinyl]-5-pyridin-2-yl-1,2,4-triazine
CID 15424694
2-(4-fluorophenyl)-4-pyridin-2-yl-1,3,5-triazine
CID 19738064
6-phenyl-3-pyridin-2-yl-1,2,4-triazine
CID 6405118
N-[(2,4-difluorophenyl)methyl]-2-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)acetamide
CID 53168769
5,8-difluoro-9-pyridin-2-ylbenzo[h]quinoline
CID 158692167

Frequently Asked Questions

What is the IUPAC name of 7,8-difluoro-3-pyridin-2-yl-5H-[1,2,4]triazino[5,6-b]indole?
The IUPAC name of 7,8-difluoro-3-pyridin-2-yl-5H-[1,2,4]triazino[5,6-b]indole (CID 172635167) is 7,8-difluoro-3-pyridin-2-yl-5H-[1,2,4]triazino[5,6-b]indole.
What is the SMILES notation for 7,8-difluoro-3-pyridin-2-yl-5H-[1,2,4]triazino[5,6-b]indole?
The canonical SMILES for 7,8-difluoro-3-pyridin-2-yl-5H-[1,2,4]triazino[5,6-b]indole is Fc1cc2[nH]c3nc(-c4ccccn4)nnc3c2cc1F.
What is the InChIKey of 7,8-difluoro-3-pyridin-2-yl-5H-[1,2,4]triazino[5,6-b]indole?
The InChIKey is VNWWIUKHNXFIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F2N5/c15-8-5-7-11(6-9(8)16)18-14-12(7)20-21-13(19-14)10-3-1-2-4-17-10/h1-6H,(H,18,19,21).
What are the key properties of 7,8-difluoro-3-pyridin-2-yl-5H-[1,2,4]triazino[5,6-b]indole?
7,8-difluoro-3-pyridin-2-yl-5H-[1,2,4]triazino[5,6-b]indole has a molecular weight of 283.24 g/mol, XLogP of 2.85, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-difluoro-3-pyridin-2-yl-5H-[1,2,4]triazino[5,6-b]indole is sourced from PubChem (CID 172635167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).