6-(4-bromophenoxy)-2-(trifluoromethyl)pyridine-3-carboxylic acid

C13H7BrF3NO3 — CID 155284044

IUPAC6-(4-bromophenoxy)-2-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(Oc2ccc(Br)cc2)nc1C(F)(F)F
InChIInChI=1S/C13H7BrF3NO3/c14-7-1-3-8(4-2-7)21-10-6-5-9(12(19)20)11(18-10)13(15,16)17/h1-6H,(H,19,20)
InChIKeyBHNZJZNEQSYYBL-UHFFFAOYSA-N
MW362.10 g/mol
LogP4.35
Rot. Bonds3

About 6-(4-bromophenoxy)-2-(trifluoromethyl)pyridine-3-carboxylic acid

6-(4-bromophenoxy)-2-(trifluoromethyl)pyridine-3-carboxylic acid (PubChem CID 155284044) has the molecular formula C13H7BrF3NO3 and a molecular weight of 362.10 g/mol. Its IUPAC name is 6-(4-bromophenoxy)-2-(trifluoromethyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(4-bromophenoxy)-2-(trifluoromethyl)pyridine-3-carboxylic acid
PubChem CID155284044
Molecular FormulaC13H7BrF3NO3
Molecular Weight362.10 g/mol
Exact Mass360.96
IUPAC Name6-(4-bromophenoxy)-2-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(Oc2ccc(Br)cc2)nc1C(F)(F)F
InChIInChI=1S/C13H7BrF3NO3/c14-7-1-3-8(4-2-7)21-10-6-5-9(12(19)20)11(18-10)13(15,16)17/h1-6H,(H,19,20)
InChIKeyBHNZJZNEQSYYBL-UHFFFAOYSA-N
XLogP4.35
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.10
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[6-(4-bromophenoxy)-2-(2-fluoropropan-2-yl)-3-pyridinyl]-3-(3H-pyrrol-3-yl)propan-1-one
CID 142308633
6-cyano-2-(trifluoromethyl)pyridine-3-carboxylic acid
CID 57347102
2-chloro-1-[2-(trifluoromethyl)-6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]ethanone
CID 153312523
3-chloro-6-[4-(trifluoromethyl)phenoxy]pyridine-2-carboxylic acid
CID 29080706
1-[6-(4-chlorophenoxy)-2-(trifluoromethyl)-3-pyridinyl]-2-(1,2,4-triazol-1-yl)ethanone
CID 126601519
6-[4-(1,3-dioxolan-2-yl)phenoxy]-N-methoxy-N-methyl-2-(trifluoromethyl)pyridine-3-carboxamide
CID 146343610
6-(4-cyanophenoxy)-2-[4-(trifluoromethoxy)phenoxy]pyridine-3-carboxylic acid
CID 66818709
2-bromo-4-(trifluoromethyl)pyrimidine-5-carboxylic acid
CID 91926883
2-(4-bromophenoxy)quinoline-4-carboxamide
CID 749895
2-(4-bromophenoxy)-4-chlorobenzoic acid
CID 55225362
2-(4-iodophenoxy)-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 79873647
6-chloro-2-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxylic acid
CID 63376513

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromophenoxy)-2-(trifluoromethyl)pyridine-3-carboxylic acid?
The IUPAC name of 6-(4-bromophenoxy)-2-(trifluoromethyl)pyridine-3-carboxylic acid (CID 155284044) is 6-(4-bromophenoxy)-2-(trifluoromethyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(4-bromophenoxy)-2-(trifluoromethyl)pyridine-3-carboxylic acid?
The canonical SMILES for 6-(4-bromophenoxy)-2-(trifluoromethyl)pyridine-3-carboxylic acid is O=C(O)c1ccc(Oc2ccc(Br)cc2)nc1C(F)(F)F.
What is the InChIKey of 6-(4-bromophenoxy)-2-(trifluoromethyl)pyridine-3-carboxylic acid?
The InChIKey is BHNZJZNEQSYYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrF3NO3/c14-7-1-3-8(4-2-7)21-10-6-5-9(12(19)20)11(18-10)13(15,16)17/h1-6H,(H,19,20).
What are the key properties of 6-(4-bromophenoxy)-2-(trifluoromethyl)pyridine-3-carboxylic acid?
6-(4-bromophenoxy)-2-(trifluoromethyl)pyridine-3-carboxylic acid has a molecular weight of 362.10 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromophenoxy)-2-(trifluoromethyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 155284044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).