acetic acid;4-(trifluoromethyl)pyridine;hydrobromide

C8H9BrF3NO2 — CID 174739301

IUPACacetic acid;4-(trifluoromethyl)pyridine;hydrobromide
SMILESBr.CC(=O)O.FC(F)(F)c1ccncc1
InChIInChI=1S/C6H4F3N.C2H4O2.BrH/c7-6(8,9)5-1-3-10-4-2-5;1-2(3)4;/h1-4H;1H3,(H,3,4);1H
InChIKeyBDXNSNIBDBLXLC-UHFFFAOYSA-N
MW288.06 g/mol
LogP2.77
Rot. Bonds

About acetic acid;4-(trifluoromethyl)pyridine;hydrobromide

acetic acid;4-(trifluoromethyl)pyridine;hydrobromide (PubChem CID 174739301) has the molecular formula C8H9BrF3NO2 and a molecular weight of 288.06 g/mol. Its IUPAC name is acetic acid;4-(trifluoromethyl)pyridine;hydrobromide.

Molecular Properties

Compound Nameacetic acid;4-(trifluoromethyl)pyridine;hydrobromide
PubChem CID174739301
Molecular FormulaC8H9BrF3NO2
Molecular Weight288.06 g/mol
Exact Mass286.98
IUPAC Nameacetic acid;4-(trifluoromethyl)pyridine;hydrobromide
SMILESBr.CC(=O)O.FC(F)(F)c1ccncc1
InChIInChI=1S/C6H4F3N.C2H4O2.BrH/c7-6(8,9)5-1-3-10-4-2-5;1-2(3)4;/h1-4H;1H3,(H,3,4);1H
InChIKeyBDXNSNIBDBLXLC-UHFFFAOYSA-N
XLogP2.77
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.06
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

acetic acid;pyrazine;2,2,2-trifluoroacetic acid
CID 174725672
1,1-diphenyl-1-pyridin-4-ylpropan-2-one
CID 123238663
acetic acid;iron;tris(4-methylpyridine);hydrate
CID 44661385
3-hydroxy-2-methyl-3-pyridin-4-ylbutanoic acid
CID 62397995
2-methylprop-2-enoic acid;trifluoromethylbenzene
CID 175145896
(2E,4Z)-5-pyridin-4-yl-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienoic acid
CID 86633264
2-amino-2-pyridin-4-ylpropanoic acid;hydrochloride
CID 146014247
1-phenyl-1,1-bis[4-(trifluoromethyl)phenyl]propan-2-one
CID 59226926
N-[2-hydroxy-3-methyl-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 70806875
4-amino-4-[4-(trifluoromethyl)phenyl]pentane-2,3-dione
CID 69050994
2-(dimethylamino)-2-pyridin-4-ylpropanoic acid
CID 43803131
2-methyl-3,3-bis[4-(trifluoromethyl)phenyl]prop-2-enoic acid
CID 141194647

Frequently Asked Questions

What is the IUPAC name of acetic acid;4-(trifluoromethyl)pyridine;hydrobromide?
The IUPAC name of acetic acid;4-(trifluoromethyl)pyridine;hydrobromide (CID 174739301) is acetic acid;4-(trifluoromethyl)pyridine;hydrobromide.
What is the SMILES notation for acetic acid;4-(trifluoromethyl)pyridine;hydrobromide?
The canonical SMILES for acetic acid;4-(trifluoromethyl)pyridine;hydrobromide is Br.CC(=O)O.FC(F)(F)c1ccncc1.
What is the InChIKey of acetic acid;4-(trifluoromethyl)pyridine;hydrobromide?
The InChIKey is BDXNSNIBDBLXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3N.C2H4O2.BrH/c7-6(8,9)5-1-3-10-4-2-5;1-2(3)4;/h1-4H;1H3,(H,3,4);1H.
What are the key properties of acetic acid;4-(trifluoromethyl)pyridine;hydrobromide?
acetic acid;4-(trifluoromethyl)pyridine;hydrobromide has a molecular weight of 288.06 g/mol, XLogP of 2.77, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;4-(trifluoromethyl)pyridine;hydrobromide is sourced from PubChem (CID 174739301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).