2-(2-fluorophenyl)-6,7,8,9-tetrahydro-5H-pyrimido[5,4-b]indole

C16H14FN3 — CID 15229562

IUPAC2-(2-fluorophenyl)-6,7,8,9-tetrahydro-5H-pyrimido[5,4-b]indole
SMILESFc1ccccc1-c1ncc2[nH]c3c(c2n1)CCCC3
InChIInChI=1S/C16H14FN3/c17-12-7-3-1-5-10(12)16-18-9-14-15(20-16)11-6-2-4-8-13(11)19-14/h1,3,5,7,9,19H,2,4,6,8H2
InChIKeySZYDUOPUPTYZFY-UHFFFAOYSA-N
MW267.31 g/mol
LogP3.64
Rot. Bonds1

About 2-(2-fluorophenyl)-6,7,8,9-tetrahydro-5H-pyrimido[5,4-b]indole

2-(2-fluorophenyl)-6,7,8,9-tetrahydro-5H-pyrimido[5,4-b]indole (PubChem CID 15229562) has the molecular formula C16H14FN3 and a molecular weight of 267.31 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-6,7,8,9-tetrahydro-5H-pyrimido[5,4-b]indole.

Molecular Properties

Compound Name2-(2-fluorophenyl)-6,7,8,9-tetrahydro-5H-pyrimido[5,4-b]indole
PubChem CID15229562
Molecular FormulaC16H14FN3
Molecular Weight267.31 g/mol
Exact Mass267.12
IUPAC Name2-(2-fluorophenyl)-6,7,8,9-tetrahydro-5H-pyrimido[5,4-b]indole
SMILESFc1ccccc1-c1ncc2[nH]c3c(c2n1)CCCC3
InChIInChI=1S/C16H14FN3/c17-12-7-3-1-5-10(12)16-18-9-14-15(20-16)11-6-2-4-8-13(11)19-14/h1,3,5,7,9,19H,2,4,6,8H2
InChIKeySZYDUOPUPTYZFY-UHFFFAOYSA-N
XLogP3.64
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-6,7,8,9-tetrahydro-5H-pyrimido[5,4-b]indole?
The IUPAC name of 2-(2-fluorophenyl)-6,7,8,9-tetrahydro-5H-pyrimido[5,4-b]indole (CID 15229562) is 2-(2-fluorophenyl)-6,7,8,9-tetrahydro-5H-pyrimido[5,4-b]indole.
What is the SMILES notation for 2-(2-fluorophenyl)-6,7,8,9-tetrahydro-5H-pyrimido[5,4-b]indole?
The canonical SMILES for 2-(2-fluorophenyl)-6,7,8,9-tetrahydro-5H-pyrimido[5,4-b]indole is Fc1ccccc1-c1ncc2[nH]c3c(c2n1)CCCC3.
What is the InChIKey of 2-(2-fluorophenyl)-6,7,8,9-tetrahydro-5H-pyrimido[5,4-b]indole?
The InChIKey is SZYDUOPUPTYZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3/c17-12-7-3-1-5-10(12)16-18-9-14-15(20-16)11-6-2-4-8-13(11)19-14/h1,3,5,7,9,19H,2,4,6,8H2.
What are the key properties of 2-(2-fluorophenyl)-6,7,8,9-tetrahydro-5H-pyrimido[5,4-b]indole?
2-(2-fluorophenyl)-6,7,8,9-tetrahydro-5H-pyrimido[5,4-b]indole has a molecular weight of 267.31 g/mol, XLogP of 3.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-6,7,8,9-tetrahydro-5H-pyrimido[5,4-b]indole is sourced from PubChem (CID 15229562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).