pyridin-1-ium-4-amine bromide

C5H7BrN2 — CID 175679427

IUPACpyridin-1-ium-4-amine bromide
SMILESNc1cc[nH+]cc1.[Br-]
InChIInChI=1S/C5H6N2.BrH/c6-5-1-3-7-4-2-5;/h1-4H,(H2,6,7);1H
InChIKeyNTYVXOVMHSAZCP-UHFFFAOYSA-N
MW175.03 g/mol
LogP-2.91
Rot. Bonds

About pyridin-1-ium-4-amine bromide

pyridin-1-ium-4-amine bromide (PubChem CID 175679427) has the molecular formula C5H7BrN2 and a molecular weight of 175.03 g/mol. Its IUPAC name is pyridin-1-ium-4-amine bromide.

Molecular Properties

Compound Namepyridin-1-ium-4-amine bromide
PubChem CID175679427
Molecular FormulaC5H7BrN2
Molecular Weight175.03 g/mol
Exact Mass173.98
IUPAC Namepyridin-1-ium-4-amine bromide
SMILESNc1cc[nH+]cc1.[Br-]
InChIInChI=1S/C5H6N2.BrH/c6-5-1-3-7-4-2-5;/h1-4H,(H2,6,7);1H
InChIKeyNTYVXOVMHSAZCP-UHFFFAOYSA-N
XLogP-2.91
TPSA40.16 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.03
LogP ≤ 5-2.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

molybdenum;(oxygen(2-));tetrakis(pyridin-1-ium-4-amine)
CID 139200304
dihydrogen phosphate;pyridin-1-ium-4-amine;hydrate
CID 139198007
bis(4-aminobenzoate);bis(pyridin-1-ium-4-amine);tetrahydrate
CID 139060701
2-hydroxy-3,4-dioxocyclobuten-1-olate;pyridin-1-ium-4-amine
CID 139063775
4-nitrobenzoate;pyridin-1-ium-4-amine
CID 155288919
benzene-1,4-diamine;methane
CID 158825195
benzene-1,4-diamine;nickel
CID 87271840
benzene-1,4-diamine;dodecane-1,12-diamine
CID 159242261
4-pyridin-1-ium-4-ylpyridin-1-ium diiodide
CID 172787266
azane;benzene-1,4-diamine;dihydrochloride
CID 70409738
2,4-dioxo-1H-pyrimidine-5-carboxylate;pyridin-1-ium-4-amine;trihydrate
CID 139204657
ethane;4-propan-2-ylpyridin-1-ium
CID 143469186

Frequently Asked Questions

What is the IUPAC name of pyridin-1-ium-4-amine bromide?
The IUPAC name of pyridin-1-ium-4-amine bromide (CID 175679427) is pyridin-1-ium-4-amine bromide.
What is the SMILES notation for pyridin-1-ium-4-amine bromide?
The canonical SMILES for pyridin-1-ium-4-amine bromide is Nc1cc[nH+]cc1.[Br-].
What is the InChIKey of pyridin-1-ium-4-amine bromide?
The InChIKey is NTYVXOVMHSAZCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2.BrH/c6-5-1-3-7-4-2-5;/h1-4H,(H2,6,7);1H.
What are the key properties of pyridin-1-ium-4-amine bromide?
pyridin-1-ium-4-amine bromide has a molecular weight of 175.03 g/mol, XLogP of -2.91, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-1-ium-4-amine bromide is sourced from PubChem (CID 175679427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).