4-(bromomethyl)-2-fluoro-3-pyridin-4-ylpyridine

C11H8BrFN2 — CID 118845199

IUPAC4-(bromomethyl)-2-fluoro-3-pyridin-4-ylpyridine
SMILESFc1nccc(CBr)c1-c1ccncc1
InChIInChI=1S/C11H8BrFN2/c12-7-9-3-6-15-11(13)10(9)8-1-4-14-5-2-8/h1-6H,7H2
InChIKeySBDFAMVRYJNYFW-UHFFFAOYSA-N
MW267.10 g/mol
LogP3.18
Rot. Bonds2

About 4-(bromomethyl)-2-fluoro-3-pyridin-4-ylpyridine

4-(bromomethyl)-2-fluoro-3-pyridin-4-ylpyridine (PubChem CID 118845199) has the molecular formula C11H8BrFN2 and a molecular weight of 267.10 g/mol. Its IUPAC name is 4-(bromomethyl)-2-fluoro-3-pyridin-4-ylpyridine.

Molecular Properties

Compound Name4-(bromomethyl)-2-fluoro-3-pyridin-4-ylpyridine
PubChem CID118845199
Molecular FormulaC11H8BrFN2
Molecular Weight267.10 g/mol
Exact Mass265.99
IUPAC Name4-(bromomethyl)-2-fluoro-3-pyridin-4-ylpyridine
SMILESFc1nccc(CBr)c1-c1ccncc1
InChIInChI=1S/C11H8BrFN2/c12-7-9-3-6-15-11(13)10(9)8-1-4-14-5-2-8/h1-6H,7H2
InChIKeySBDFAMVRYJNYFW-UHFFFAOYSA-N
XLogP3.18
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.10
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 4-(bromomethyl)-2-fluoro-3-pyridin-4-ylpyridine 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

2-(2-fluoro-3-phenyl-4-pyridinyl)acetonitrile
CID 131869813
4-(bromomethyl)-2-fluoro-3-(trifluoromethoxy)pyridine
CID 130092123
4-(2,3,4,5-tetrafluoro-6-pyridin-4-ylphenyl)pyridine
CID 87660487
2-(2,3-dipyridin-4-yl-4-pyridinyl)acetic acid
CID 131870393
2-[2-fluoro-3-(3-fluorophenyl)-4-pyridinyl]acetonitrile
CID 131870263
1,4,5,8-tetrakis(bromomethyl)biphenylene
CID 13401426
ethane;4-pyridin-4-ylpyridine
CID 142013036
4-(bromomethyl)-3-chloro-2-(2-fluorophenyl)pyridine
CID 118800068
4-(bromomethyl)-3-(trifluoromethyl)pyridine
CID 118704049
4-(2,4,6-trimethyl-3,5-dipyridin-4-ylphenyl)pyridine
CID 132532788
4-pyridin-4-ylpyridine;1,2,4,5-tetrafluoro-3,6-diiodobenzene
CID 139205206
4-[[2-(bromomethyl)-6-fluorophenoxy]methyl]pyridine
CID 112613976

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-2-fluoro-3-pyridin-4-ylpyridine?
The IUPAC name of 4-(bromomethyl)-2-fluoro-3-pyridin-4-ylpyridine (CID 118845199) is 4-(bromomethyl)-2-fluoro-3-pyridin-4-ylpyridine.
What is the SMILES notation for 4-(bromomethyl)-2-fluoro-3-pyridin-4-ylpyridine?
The canonical SMILES for 4-(bromomethyl)-2-fluoro-3-pyridin-4-ylpyridine is Fc1nccc(CBr)c1-c1ccncc1.
What is the InChIKey of 4-(bromomethyl)-2-fluoro-3-pyridin-4-ylpyridine?
The InChIKey is SBDFAMVRYJNYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrFN2/c12-7-9-3-6-15-11(13)10(9)8-1-4-14-5-2-8/h1-6H,7H2.
What are the key properties of 4-(bromomethyl)-2-fluoro-3-pyridin-4-ylpyridine?
4-(bromomethyl)-2-fluoro-3-pyridin-4-ylpyridine has a molecular weight of 267.10 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-2-fluoro-3-pyridin-4-ylpyridine is sourced from PubChem (CID 118845199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).