CID 165134332

C15H20BFN2O2 — CID 165134332

IUPAC—
SMILESCC.[B]c1c(F)c2cnc(C)cc2n1C(=O)OC(C)(C)C
InChIInChI=1S/C13H14BFN2O2.C2H6/c1-7-5-9-8(6-16-7)10(15)11(14)17(9)12(18)19-13(2,3)4;1-2/h5-6H,1-4H3;1-2H3
InChIKeyJNJMACMORARLHL-UHFFFAOYSA-N
MW290.15 g/mol
LogP3.09
Rot. Bonds

About CID 165134332

CID 165134332 (PubChem CID 165134332) has the molecular formula C15H20BFN2O2 and a molecular weight of 290.15 g/mol.

Molecular Properties

Compound NameCID 165134332
PubChem CID165134332
Molecular FormulaC15H20BFN2O2
Molecular Weight290.15 g/mol
Exact Mass290.16
IUPAC Name—
SMILESCC.[B]c1c(F)c2cnc(C)cc2n1C(=O)OC(C)(C)C
InChIInChI=1S/C13H14BFN2O2.C2H6/c1-7-5-9-8(6-16-7)10(15)11(14)17(9)12(18)19-13(2,3)4;1-2/h5-6H,1-4H3;1-2H3
InChIKeyJNJMACMORARLHL-UHFFFAOYSA-N
XLogP3.09
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.15
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 6-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-4-yl]pyrrolo[3,2-c]pyridine-1-carboxylate
CID 121419241
1-O-tert-butyl 2-O-methyl 4-fluoro-6-methylindole-1,2-dicarboxylate
CID 158259470
tert-butyl 2,7-diformylcarbazole-9-carboxylate
CID 10829746
ditert-butyl 2,10-difluoro-6-methylindolo[2,3-b]carbazole-5,7-dicarboxylate
CID 67212019
tert-butyl 3-[4-(4-fluoro-6-methyl-3-pyridinyl)pyrazol-1-yl]azetidine-1-carboxylate
CID 169247288
tert-butyl 2-acetyl-3-fluoroindole-1-carboxylate
CID 133054826
tert-butyl 3-bromo-6-methylcarbazole-9-carboxylate
CID 21072274
tert-butyl 5-ethyl-2-methylimidazole-1-carboxylate
CID 59476393
tert-butyl 3-(3-fluoro-5-methyl-2-pyridinyl)pyrrolidine-1-carboxylate
CID 145296635
[4,5-difluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid
CID 131364457
tert-butyl 11-(2-methyl-4-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8-carboxylate
CID 145446375
2-[9-[(2-methylpropan-2-yl)oxycarbonyl]pyrido[3,4-b]indol-3-yl]acetic acid
CID 174682016

Frequently Asked Questions

What is the IUPAC name of CID 165134332?
The IUPAC name of CID 165134332 (CID 165134332) is not available.
What is the SMILES notation for CID 165134332?
The canonical SMILES for CID 165134332 is CC.[B]c1c(F)c2cnc(C)cc2n1C(=O)OC(C)(C)C.
What is the InChIKey of CID 165134332?
The InChIKey is JNJMACMORARLHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BFN2O2.C2H6/c1-7-5-9-8(6-16-7)10(15)11(14)17(9)12(18)19-13(2,3)4;1-2/h5-6H,1-4H3;1-2H3.
What are the key properties of CID 165134332?
CID 165134332 has a molecular weight of 290.15 g/mol, XLogP of 3.09, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 165134332 is sourced from PubChem (CID 165134332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).