5-(bromomethyl)-2-(3,5-dichloro-2-pyridinyl)-4-(difluoromethyl)pyrimidine

C11H6BrCl2F2N3 — CID 114205871

IUPAC5-(bromomethyl)-2-(3,5-dichloro-2-pyridinyl)-4-(difluoromethyl)pyrimidine
SMILESFC(F)c1nc(-c2ncc(Cl)cc2Cl)ncc1CBr
InChIInChI=1S/C11H6BrCl2F2N3/c12-2-5-3-18-11(19-8(5)10(15)16)9-7(14)1-6(13)4-17-9/h1,3-4,10H,2H2
InChIKeyYCHWXMYQPNKYRK-UHFFFAOYSA-N
MW369.00 g/mol
LogP4.68
Rot. Bonds3

About 5-(bromomethyl)-2-(3,5-dichloro-2-pyridinyl)-4-(difluoromethyl)pyrimidine

5-(bromomethyl)-2-(3,5-dichloro-2-pyridinyl)-4-(difluoromethyl)pyrimidine (PubChem CID 114205871) has the molecular formula C11H6BrCl2F2N3 and a molecular weight of 369.00 g/mol. Its IUPAC name is 5-(bromomethyl)-2-(3,5-dichloro-2-pyridinyl)-4-(difluoromethyl)pyrimidine.

Molecular Properties

Compound Name5-(bromomethyl)-2-(3,5-dichloro-2-pyridinyl)-4-(difluoromethyl)pyrimidine
PubChem CID114205871
Molecular FormulaC11H6BrCl2F2N3
Molecular Weight369.00 g/mol
Exact Mass366.91
IUPAC Name5-(bromomethyl)-2-(3,5-dichloro-2-pyridinyl)-4-(difluoromethyl)pyrimidine
SMILESFC(F)c1nc(-c2ncc(Cl)cc2Cl)ncc1CBr
InChIInChI=1S/C11H6BrCl2F2N3/c12-2-5-3-18-11(19-8(5)10(15)16)9-7(14)1-6(13)4-17-9/h1,3-4,10H,2H2
InChIKeyYCHWXMYQPNKYRK-UHFFFAOYSA-N
XLogP4.68
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.00
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(bromomethyl)-2-(3,5-dichloro-2-pyridinyl)-4-propan-2-ylpyrimidine
CID 114205763
5-(chloromethyl)-2-(3,5-dichloro-2-pyridinyl)-4-ethylpyrimidine
CID 114205364
3,5-dichloro-2-(difluoromethyl)pyridine
CID 60622989
[2-(3-chloro-2-pyridinyl)-4-(difluoromethyl)pyrimidin-5-yl]methanamine
CID 114206169
(1R)-1-[2-(3,5-dichloro-2-pyridinyl)-4-methylpyrimidin-5-yl]ethanol
CID 103431234
5-(bromomethyl)-3-chloro-2-(difluoromethyl)pyridine
CID 130095506
5-bromo-2-(3,5-dichloro-2-pyridinyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine
CID 79779927
5-(bromomethyl)-4-(difluoromethyl)-2-(3-methyl-4-pyridinyl)pyrimidine
CID 114205896
2-(3,5-dichloro-2-pyridinyl)pyrimidin-5-amine
CID 79786246
2-(3,5-dichloro-2-pyridinyl)-5-iodo-6-propan-2-ylpyrimidin-4-amine
CID 79780014
(1R)-1-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 104901729
3-(bromomethyl)-5-chloro-2-(difluoromethyl)-6-(trifluoromethyl)pyridine
CID 130075114

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-2-(3,5-dichloro-2-pyridinyl)-4-(difluoromethyl)pyrimidine?
The IUPAC name of 5-(bromomethyl)-2-(3,5-dichloro-2-pyridinyl)-4-(difluoromethyl)pyrimidine (CID 114205871) is 5-(bromomethyl)-2-(3,5-dichloro-2-pyridinyl)-4-(difluoromethyl)pyrimidine.
What is the SMILES notation for 5-(bromomethyl)-2-(3,5-dichloro-2-pyridinyl)-4-(difluoromethyl)pyrimidine?
The canonical SMILES for 5-(bromomethyl)-2-(3,5-dichloro-2-pyridinyl)-4-(difluoromethyl)pyrimidine is FC(F)c1nc(-c2ncc(Cl)cc2Cl)ncc1CBr.
What is the InChIKey of 5-(bromomethyl)-2-(3,5-dichloro-2-pyridinyl)-4-(difluoromethyl)pyrimidine?
The InChIKey is YCHWXMYQPNKYRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrCl2F2N3/c12-2-5-3-18-11(19-8(5)10(15)16)9-7(14)1-6(13)4-17-9/h1,3-4,10H,2H2.
What are the key properties of 5-(bromomethyl)-2-(3,5-dichloro-2-pyridinyl)-4-(difluoromethyl)pyrimidine?
5-(bromomethyl)-2-(3,5-dichloro-2-pyridinyl)-4-(difluoromethyl)pyrimidine has a molecular weight of 369.00 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-2-(3,5-dichloro-2-pyridinyl)-4-(difluoromethyl)pyrimidine is sourced from PubChem (CID 114205871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).