1-butyl-2H-pyridine-3-carboxylic acid;hydrobromide

C10H16BrNO2 — CID 172823274

IUPAC1-butyl-2H-pyridine-3-carboxylic acid;hydrobromide
SMILESBr.CCCCN1C=CC=C(C(=O)O)C1
InChIInChI=1S/C10H15NO2.BrH/c1-2-3-6-11-7-4-5-9(8-11)10(12)13;/h4-5,7H,2-3,6,8H2,1H3,(H,12,13);1H
InChIKeyUMYPORACGLQHCY-UHFFFAOYSA-N
MW262.15 g/mol
LogP2.20
Rot. Bonds4

About 1-butyl-2H-pyridine-3-carboxylic acid;hydrobromide

1-butyl-2H-pyridine-3-carboxylic acid;hydrobromide (PubChem CID 172823274) has the molecular formula C10H16BrNO2 and a molecular weight of 262.15 g/mol. Its IUPAC name is 1-butyl-2H-pyridine-3-carboxylic acid;hydrobromide.

Molecular Properties

Compound Name1-butyl-2H-pyridine-3-carboxylic acid;hydrobromide
PubChem CID172823274
Molecular FormulaC10H16BrNO2
Molecular Weight262.15 g/mol
Exact Mass261.04
IUPAC Name1-butyl-2H-pyridine-3-carboxylic acid;hydrobromide
SMILESBr.CCCCN1C=CC=C(C(=O)O)C1
InChIInChI=1S/C10H15NO2.BrH/c1-2-3-6-11-7-4-5-9(8-11)10(12)13;/h4-5,7H,2-3,6,8H2,1H3,(H,12,13);1H
InChIKeyUMYPORACGLQHCY-UHFFFAOYSA-N
XLogP2.20
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.15
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-2H-pyridine-3-carboxylic acid;hydrochloride
CID 67464398
1-decyl-3-methyl-2H-pyridine
CID 141124011
bis(trifluoromethylsulfonyl)azanide;butyl 1-butyl-2H-pyridine-3-carboxylate
CID 158451341
N-(1-butyl-2H-pyridin-3-yl)-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 156587771
1-hexyl-3-methyl-2H-pyridine;trifluoromethanesulfonic acid
CID 174688391
N'-(1-dodecyl-2H-pyridin-3-yl)oxamide
CID 175429462
1-butyl-3-methyl-2H-pyridine;thiocyanic acid
CID 174709864
acetic acid;1,3-dibutyl-2H-imidazole
CID 174955065
CID 174586878
CID 174586878
acetic acid;1-butyl-3-ethyl-2H-imidazole
CID 175549883
1,3-dibutyl-2H-imidazole;hydrobromide
CID 170561230
1-butyl-3-methyl-2H-imidazole;phthalic acid
CID 175355843

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2H-pyridine-3-carboxylic acid;hydrobromide?
The IUPAC name of 1-butyl-2H-pyridine-3-carboxylic acid;hydrobromide (CID 172823274) is 1-butyl-2H-pyridine-3-carboxylic acid;hydrobromide.
What is the SMILES notation for 1-butyl-2H-pyridine-3-carboxylic acid;hydrobromide?
The canonical SMILES for 1-butyl-2H-pyridine-3-carboxylic acid;hydrobromide is Br.CCCCN1C=CC=C(C(=O)O)C1.
What is the InChIKey of 1-butyl-2H-pyridine-3-carboxylic acid;hydrobromide?
The InChIKey is UMYPORACGLQHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2.BrH/c1-2-3-6-11-7-4-5-9(8-11)10(12)13;/h4-5,7H,2-3,6,8H2,1H3,(H,12,13);1H.
What are the key properties of 1-butyl-2H-pyridine-3-carboxylic acid;hydrobromide?
1-butyl-2H-pyridine-3-carboxylic acid;hydrobromide has a molecular weight of 262.15 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2H-pyridine-3-carboxylic acid;hydrobromide is sourced from PubChem (CID 172823274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).