(5-bromo-4-chloro-2-methoxy-3-pyridinyl)-(2,3,4-trimethoxy-6-methylphenyl)methanone

C17H17BrClNO5 — CID 11262685

IUPAC(5-bromo-4-chloro-2-methoxy-3-pyridinyl)-(2,3,4-trimethoxy-6-methylphenyl)methanone
SMILESCOc1cc(C)c(C(=O)c2c(OC)ncc(Br)c2Cl)c(OC)c1OC
InChIInChI=1S/C17H17BrClNO5/c1-8-6-10(22-2)15(23-3)16(24-4)11(8)14(21)12-13(19)9(18)7-20-17(12)25-5/h6-7H,1-5H3
InChIKeyRTMBNCGVQQMMBS-UHFFFAOYSA-N
MW430.68 g/mol
LogP4.07
Rot. Bonds6

About (5-bromo-4-chloro-2-methoxy-3-pyridinyl)-(2,3,4-trimethoxy-6-methylphenyl)methanone

(5-bromo-4-chloro-2-methoxy-3-pyridinyl)-(2,3,4-trimethoxy-6-methylphenyl)methanone (PubChem CID 11262685) has the molecular formula C17H17BrClNO5 and a molecular weight of 430.68 g/mol. Its IUPAC name is (5-bromo-4-chloro-2-methoxy-3-pyridinyl)-(2,3,4-trimethoxy-6-methylphenyl)methanone.

Molecular Properties

Compound Name(5-bromo-4-chloro-2-methoxy-3-pyridinyl)-(2,3,4-trimethoxy-6-methylphenyl)methanone
PubChem CID11262685
Molecular FormulaC17H17BrClNO5
Molecular Weight430.68 g/mol
Exact Mass429.00
IUPAC Name(5-bromo-4-chloro-2-methoxy-3-pyridinyl)-(2,3,4-trimethoxy-6-methylphenyl)methanone
SMILESCOc1cc(C)c(C(=O)c2c(OC)ncc(Br)c2Cl)c(OC)c1OC
InChIInChI=1S/C17H17BrClNO5/c1-8-6-10(22-2)15(23-3)16(24-4)11(8)14(21)12-13(19)9(18)7-20-17(12)25-5/h6-7H,1-5H3
InChIKeyRTMBNCGVQQMMBS-UHFFFAOYSA-N
XLogP4.07
TPSA66.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.68
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[5-chloro-2-methoxy-4-(trideuterio(113C)methyl)-3-pyridinyl]-(2,3,4-trimethoxy-6-methylphenyl)methanone
CID 71751899
(3-bromo-2-methoxy-6-methylphenyl)-(2,3,4-trimethoxy-6-methylphenyl)methanone
CID 18185404
(4-bromo-5-chloro-2-ethoxy-1H-pyrrol-3-yl)-(2,3,4-trimethoxy-6-methylphenyl)methanone
CID 150856524
(3-methoxy-2,6-dimethylphenyl)-(2,3,4-trimethoxy-6-methylphenyl)methanone
CID 22671386
methyl 2,3,4-trimethoxy-6-methylbenzoate
CID 59466592
[3-methyl-2-(2,3,4-trimethoxy-6-methylbenzoyl)phenyl] acetate
CID 22671378
1-(6-bromo-2,3,4-trimethoxyphenyl)ethanone
CID 117466722
(2-chloro-6-methoxyphenyl)-(3,4-dimethoxy-6-methyl-2-phenylmethoxyphenyl)methanone
CID 15430946
4-chloro-1,2,3-trimethoxy-5-methylbenzene;ethane
CID 145244698
(2,6-dimethyl-3-nitrophenyl)-(2,3,4-trimethoxy-6-methylphenyl)methanone
CID 22671380
benzoyl bromide;phenyl-(2,3,4-trimethoxy-6-methylphenyl)methanone;1,2,3-trimethoxy-5-methylbenzene
CID 158614208
(3-bromo-6-methoxy-2-methylphenyl)-[2-(hydroxymethyl)-3,4-dimethoxy-6-methylphenyl]methanone
CID 90867708

Frequently Asked Questions

What is the IUPAC name of (5-bromo-4-chloro-2-methoxy-3-pyridinyl)-(2,3,4-trimethoxy-6-methylphenyl)methanone?
The IUPAC name of (5-bromo-4-chloro-2-methoxy-3-pyridinyl)-(2,3,4-trimethoxy-6-methylphenyl)methanone (CID 11262685) is (5-bromo-4-chloro-2-methoxy-3-pyridinyl)-(2,3,4-trimethoxy-6-methylphenyl)methanone.
What is the SMILES notation for (5-bromo-4-chloro-2-methoxy-3-pyridinyl)-(2,3,4-trimethoxy-6-methylphenyl)methanone?
The canonical SMILES for (5-bromo-4-chloro-2-methoxy-3-pyridinyl)-(2,3,4-trimethoxy-6-methylphenyl)methanone is COc1cc(C)c(C(=O)c2c(OC)ncc(Br)c2Cl)c(OC)c1OC.
What is the InChIKey of (5-bromo-4-chloro-2-methoxy-3-pyridinyl)-(2,3,4-trimethoxy-6-methylphenyl)methanone?
The InChIKey is RTMBNCGVQQMMBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrClNO5/c1-8-6-10(22-2)15(23-3)16(24-4)11(8)14(21)12-13(19)9(18)7-20-17(12)25-5/h6-7H,1-5H3.
What are the key properties of (5-bromo-4-chloro-2-methoxy-3-pyridinyl)-(2,3,4-trimethoxy-6-methylphenyl)methanone?
(5-bromo-4-chloro-2-methoxy-3-pyridinyl)-(2,3,4-trimethoxy-6-methylphenyl)methanone has a molecular weight of 430.68 g/mol, XLogP of 4.07, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-4-chloro-2-methoxy-3-pyridinyl)-(2,3,4-trimethoxy-6-methylphenyl)methanone is sourced from PubChem (CID 11262685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).