(2-bromo-5-fluorophenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone

C14H13BrFNO — CID 63927883

IUPAC(2-bromo-5-fluorophenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone
SMILESCc1[nH]c(C(=O)c2cc(F)ccc2Br)c(C)c1C
InChIInChI=1S/C14H13BrFNO/c1-7-8(2)13(17-9(7)3)14(18)11-6-10(16)4-5-12(11)15/h4-6,17H,1-3H3
InChIKeyUHJPJEFMUXGSFD-UHFFFAOYSA-N
MW310.17 g/mol
LogP4.07
Rot. Bonds2

About (2-bromo-5-fluorophenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone

(2-bromo-5-fluorophenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone (PubChem CID 63927883) has the molecular formula C14H13BrFNO and a molecular weight of 310.17 g/mol. Its IUPAC name is (2-bromo-5-fluorophenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone.

Molecular Properties

Compound Name(2-bromo-5-fluorophenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone
PubChem CID63927883
Molecular FormulaC14H13BrFNO
Molecular Weight310.17 g/mol
Exact Mass309.02
IUPAC Name(2-bromo-5-fluorophenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone
SMILESCc1[nH]c(C(=O)c2cc(F)ccc2Br)c(C)c1C
InChIInChI=1S/C14H13BrFNO/c1-7-8(2)13(17-9(7)3)14(18)11-6-10(16)4-5-12(11)15/h4-6,17H,1-3H3
InChIKeyUHJPJEFMUXGSFD-UHFFFAOYSA-N
XLogP4.07
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.17
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2-bromo-5-methylphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone
CID 81109831
(4-fluoro-2-methylphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone
CID 113399947
(2-bromophenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone
CID 63926863
(5-bromo-2-fluorophenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone
CID 63927688
(2-bromo-5-fluorophenyl)-(2,5-dimethylthiophen-3-yl)methanone
CID 43161417
(2-fluoro-5-methylphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone
CID 63925434
1-(2-bromo-5-fluorophenyl)ethanone
CID 22736080
(3,5-dibromophenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone
CID 114023489
(2-bromo-5-fluorophenyl)-(2,3,4-trifluorophenyl)methanone
CID 114971661
(2-bromo-5-fluorophenyl)-(2-chlorophenyl)methanone
CID 114963342
(2-bromo-5-fluorophenyl)-(2-bromo-4-methoxyphenyl)methanone
CID 60788123
(2-bromo-5-fluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanone
CID 62865668

Frequently Asked Questions

What is the IUPAC name of (2-bromo-5-fluorophenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone?
The IUPAC name of (2-bromo-5-fluorophenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone (CID 63927883) is (2-bromo-5-fluorophenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone.
What is the SMILES notation for (2-bromo-5-fluorophenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone?
The canonical SMILES for (2-bromo-5-fluorophenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone is Cc1[nH]c(C(=O)c2cc(F)ccc2Br)c(C)c1C.
What is the InChIKey of (2-bromo-5-fluorophenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone?
The InChIKey is UHJPJEFMUXGSFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFNO/c1-7-8(2)13(17-9(7)3)14(18)11-6-10(16)4-5-12(11)15/h4-6,17H,1-3H3.
What are the key properties of (2-bromo-5-fluorophenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone?
(2-bromo-5-fluorophenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone has a molecular weight of 310.17 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-5-fluorophenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone is sourced from PubChem (CID 63927883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).