3-bromo-5-[(4-iodopyrazol-1-yl)methyl]pyridine

C9H7BrIN3 — CID 115641056

IUPAC3-bromo-5-[(4-iodopyrazol-1-yl)methyl]pyridine
SMILESBrc1cncc(Cn2cc(I)cn2)c1
InChIInChI=1S/C9H7BrIN3/c10-8-1-7(2-12-3-8)5-14-6-9(11)4-13-14/h1-4,6H,5H2
InChIKeyOIDXIOQYFUNULE-UHFFFAOYSA-N
MW363.98 g/mol
LogP2.69
Rot. Bonds2

About 3-bromo-5-[(4-iodopyrazol-1-yl)methyl]pyridine

3-bromo-5-[(4-iodopyrazol-1-yl)methyl]pyridine (PubChem CID 115641056) has the molecular formula C9H7BrIN3 and a molecular weight of 363.98 g/mol. Its IUPAC name is 3-bromo-5-[(4-iodopyrazol-1-yl)methyl]pyridine.

Molecular Properties

Compound Name3-bromo-5-[(4-iodopyrazol-1-yl)methyl]pyridine
PubChem CID115641056
Molecular FormulaC9H7BrIN3
Molecular Weight363.98 g/mol
Exact Mass362.89
IUPAC Name3-bromo-5-[(4-iodopyrazol-1-yl)methyl]pyridine
SMILESBrc1cncc(Cn2cc(I)cn2)c1
InChIInChI=1S/C9H7BrIN3/c10-8-1-7(2-12-3-8)5-14-6-9(11)4-13-14/h1-4,6H,5H2
InChIKeyOIDXIOQYFUNULE-UHFFFAOYSA-N
XLogP2.69
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.98
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-[[1-[(5-bromo-3-pyridinyl)methyl]pyrazol-4-yl]methyl]cyclopropanamine
CID 113455948
1-[(5-bromo-3-pyridinyl)methyl]azocane
CID 115580857
[1-[(5-bromo-3-pyridinyl)methyl]triazol-4-yl]methanamine
CID 104810230
4-iodo-1-[(4-methylphenyl)methyl]pyrazole
CID 15942918
1-(2-bromoethyl)-4-[(5-bromo-3-pyridinyl)methyl]piperazine
CID 104811250
1-[(3,4-difluorophenyl)methyl]-4-iodopyrazole
CID 78997583
N-[[1-[(5-bromo-3-pyridinyl)methyl]triazol-4-yl]methyl]propan-2-amine
CID 104813415
2-[1-[(5-bromo-3-pyridinyl)methyl]triazol-4-yl]propan-2-amine
CID 104810232
1-[(2-bromo-5-fluorophenyl)methyl]-4-iodopyrazole
CID 78997457
1-[(5-bromo-3-pyridinyl)methyl]-4-methylpyrrolidin-3-ol
CID 130770082
1-[(5-bromo-3-pyridinyl)methyl]-1,2,4-triazole-3-carbonitrile
CID 39535735
7-[(5-bromo-3-pyridinyl)methyl]-7-azabicyclo[2.2.1]heptane
CID 130956415

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-[(4-iodopyrazol-1-yl)methyl]pyridine?
The IUPAC name of 3-bromo-5-[(4-iodopyrazol-1-yl)methyl]pyridine (CID 115641056) is 3-bromo-5-[(4-iodopyrazol-1-yl)methyl]pyridine.
What is the SMILES notation for 3-bromo-5-[(4-iodopyrazol-1-yl)methyl]pyridine?
The canonical SMILES for 3-bromo-5-[(4-iodopyrazol-1-yl)methyl]pyridine is Brc1cncc(Cn2cc(I)cn2)c1.
What is the InChIKey of 3-bromo-5-[(4-iodopyrazol-1-yl)methyl]pyridine?
The InChIKey is OIDXIOQYFUNULE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrIN3/c10-8-1-7(2-12-3-8)5-14-6-9(11)4-13-14/h1-4,6H,5H2.
What are the key properties of 3-bromo-5-[(4-iodopyrazol-1-yl)methyl]pyridine?
3-bromo-5-[(4-iodopyrazol-1-yl)methyl]pyridine has a molecular weight of 363.98 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-[(4-iodopyrazol-1-yl)methyl]pyridine is sourced from PubChem (CID 115641056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).