1-(5-bromo-2-pyridinyl)-3-(2H-triazol-4-yl)pyrrolidin-3-ol

C11H12BrN5O — CID 128977056

IUPAC1-(5-bromo-2-pyridinyl)-3-(2H-triazol-4-yl)pyrrolidin-3-ol
SMILESOC1(c2cn[nH]n2)CCN(c2ccc(Br)cn2)C1
InChIInChI=1S/C11H12BrN5O/c12-8-1-2-10(13-5-8)17-4-3-11(18,7-17)9-6-14-16-15-9/h1-2,5-6,18H,3-4,7H2,(H,14,15,16)
InChIKeyKTYCPEQLWWZJSM-UHFFFAOYSA-N
MW310.15 g/mol
LogP1.06
Rot. Bonds2

About 1-(5-bromo-2-pyridinyl)-3-(2H-triazol-4-yl)pyrrolidin-3-ol

1-(5-bromo-2-pyridinyl)-3-(2H-triazol-4-yl)pyrrolidin-3-ol (PubChem CID 128977056) has the molecular formula C11H12BrN5O and a molecular weight of 310.15 g/mol. Its IUPAC name is 1-(5-bromo-2-pyridinyl)-3-(2H-triazol-4-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(5-bromo-2-pyridinyl)-3-(2H-triazol-4-yl)pyrrolidin-3-ol
PubChem CID128977056
Molecular FormulaC11H12BrN5O
Molecular Weight310.15 g/mol
Exact Mass309.02
IUPAC Name1-(5-bromo-2-pyridinyl)-3-(2H-triazol-4-yl)pyrrolidin-3-ol
SMILESOC1(c2cn[nH]n2)CCN(c2ccc(Br)cn2)C1
InChIInChI=1S/C11H12BrN5O/c12-8-1-2-10(13-5-8)17-4-3-11(18,7-17)9-6-14-16-15-9/h1-2,5-6,18H,3-4,7H2,(H,14,15,16)
InChIKeyKTYCPEQLWWZJSM-UHFFFAOYSA-N
XLogP1.06
TPSA77.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.15
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(5-bromo-2-pyridinyl)-3-(2H-triazol-4-yl)pyrrolidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-1-pyridin-2-yl-3-(2H-triazol-4-yl)pyrrolidin-3-ol
CID 129482161
(3S)-1-(5-chloropyrimidin-2-yl)-3-(2H-triazol-4-yl)pyrrolidin-3-ol
CID 129482636
5-bromo-2-(4,4-diethylpiperidin-1-yl)pyridine
CID 63464475
1-(5-bromo-2-pyridinyl)-3-(trifluoromethyl)azetidin-3-ol
CID 162745565
1-(2,6-difluorophenyl)sulfonyl-3-(2H-triazol-4-yl)pyrrolidin-3-ol
CID 167977300
1-(6-fluoro-2-methylquinolin-4-yl)-3-(2H-triazol-4-yl)pyrrolidin-3-ol
CID 128977109
(3S)-1-(8-fluoro-2-methylquinolin-4-yl)-3-(2H-triazol-4-yl)pyrrolidin-3-ol
CID 129482606
(3R)-1-[(4-phenylphenyl)methyl]-3-(2H-triazol-4-yl)pyrrolidin-3-ol
CID 129484764
1-(5-bromo-2-pyridinyl)azocane
CID 55137358
1-(5-bromo-2-pyridinyl)-4-[(dimethylamino)methyl]piperidin-4-amine
CID 164854692
4-(5-bromo-2-pyridinyl)-2,2-dimethylmorpholine
CID 61375097
5-bromo-2-piperidin-1-ylpyridine;hydrochloride
CID 53217409

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-pyridinyl)-3-(2H-triazol-4-yl)pyrrolidin-3-ol?
The IUPAC name of 1-(5-bromo-2-pyridinyl)-3-(2H-triazol-4-yl)pyrrolidin-3-ol (CID 128977056) is 1-(5-bromo-2-pyridinyl)-3-(2H-triazol-4-yl)pyrrolidin-3-ol.
What is the SMILES notation for 1-(5-bromo-2-pyridinyl)-3-(2H-triazol-4-yl)pyrrolidin-3-ol?
The canonical SMILES for 1-(5-bromo-2-pyridinyl)-3-(2H-triazol-4-yl)pyrrolidin-3-ol is OC1(c2cn[nH]n2)CCN(c2ccc(Br)cn2)C1.
What is the InChIKey of 1-(5-bromo-2-pyridinyl)-3-(2H-triazol-4-yl)pyrrolidin-3-ol?
The InChIKey is KTYCPEQLWWZJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN5O/c12-8-1-2-10(13-5-8)17-4-3-11(18,7-17)9-6-14-16-15-9/h1-2,5-6,18H,3-4,7H2,(H,14,15,16).
What are the key properties of 1-(5-bromo-2-pyridinyl)-3-(2H-triazol-4-yl)pyrrolidin-3-ol?
1-(5-bromo-2-pyridinyl)-3-(2H-triazol-4-yl)pyrrolidin-3-ol has a molecular weight of 310.15 g/mol, XLogP of 1.06, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-pyridinyl)-3-(2H-triazol-4-yl)pyrrolidin-3-ol is sourced from PubChem (CID 128977056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).