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

C14H13BrFNO — CID 63927688

IUPAC(5-bromo-2-fluorophenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone
SMILESCc1[nH]c(C(=O)c2cc(Br)ccc2F)c(C)c1C
InChIInChI=1S/C14H13BrFNO/c1-7-8(2)13(17-9(7)3)14(18)11-6-10(15)4-5-12(11)16/h4-6,17H,1-3H3
InChIKeyBWFQGZWHQYPIGU-UHFFFAOYSA-N
MW310.17 g/mol
LogP4.07
Rot. Bonds2

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

(5-bromo-2-fluorophenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone (PubChem CID 63927688) has the molecular formula C14H13BrFNO and a molecular weight of 310.17 g/mol. Its IUPAC name is (5-bromo-2-fluorophenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone.

Molecular Properties

Compound Name(5-bromo-2-fluorophenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone
PubChem CID63927688
Molecular FormulaC14H13BrFNO
Molecular Weight310.17 g/mol
Exact Mass309.02
IUPAC Name(5-bromo-2-fluorophenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone
SMILESCc1[nH]c(C(=O)c2cc(Br)ccc2F)c(C)c1C
InChIInChI=1S/C14H13BrFNO/c1-7-8(2)13(17-9(7)3)14(18)11-6-10(15)4-5-12(11)16/h4-6,17H,1-3H3
InChIKeyBWFQGZWHQYPIGU-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-fluoro-5-methylphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone
CID 63925434
(2-bromo-5-fluorophenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone
CID 63927883
(5-bromo-2-fluorophenyl)-(3,5-dimethylphenyl)methanone
CID 114894222
(5-bromo-2-fluorophenyl)-(2,5-difluorophenyl)methanone
CID 43337432
[(2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] 5-bromo-2-fluorobenzoate
CID 8935415
(3,5-dibromophenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone
CID 114023489
(5-bromo-2-fluorophenyl)-(3,4,5-trifluorophenyl)methanone
CID 79743346
(5-bromo-2-fluorophenyl)-(3,6-dimethylpyridazin-4-yl)methanone
CID 105116420
(5-bromo-2-fluorophenyl)-(4-chloro-2-fluorophenyl)methanone
CID 79743347
(5-bromo-2-fluorophenyl)-(4-tert-butylphenyl)methanone
CID 43337748
(5-bromo-2-fluorophenyl)-(6-methyl-2-pyridinyl)methanone
CID 79742364
ethyl 5-bromo-2-fluorobenzoate
CID 21113016

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-fluorophenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone?
The IUPAC name of (5-bromo-2-fluorophenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone (CID 63927688) is (5-bromo-2-fluorophenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone.
What is the SMILES notation for (5-bromo-2-fluorophenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone?
The canonical SMILES for (5-bromo-2-fluorophenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone is Cc1[nH]c(C(=O)c2cc(Br)ccc2F)c(C)c1C.
What is the InChIKey of (5-bromo-2-fluorophenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone?
The InChIKey is BWFQGZWHQYPIGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFNO/c1-7-8(2)13(17-9(7)3)14(18)11-6-10(15)4-5-12(11)16/h4-6,17H,1-3H3.
What are the key properties of (5-bromo-2-fluorophenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone?
(5-bromo-2-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 (5-bromo-2-fluorophenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone is sourced from PubChem (CID 63927688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).