2-chloro-4,5-difluoropyrimidine

C4HClF2N2 — CID 18318796

IUPAC2-chloro-4,5-difluoropyrimidine
SMILESFc1cnc(Cl)nc1F
InChIInChI=1S/C4HClF2N2/c5-4-8-1-2(6)3(7)9-4/h1H
InChIKeyIFJJGURBXOAWDJ-UHFFFAOYSA-N
MW150.52 g/mol
LogP1.41
Rot. Bonds

About 2-chloro-4,5-difluoropyrimidine

2-chloro-4,5-difluoropyrimidine (PubChem CID 18318796) has the molecular formula C4HClF2N2 and a molecular weight of 150.52 g/mol. Its IUPAC name is 2-chloro-4,5-difluoropyrimidine.

Molecular Properties

Compound Name2-chloro-4,5-difluoropyrimidine
PubChem CID18318796
Molecular FormulaC4HClF2N2
Molecular Weight150.52 g/mol
Exact Mass149.98
IUPAC Name2-chloro-4,5-difluoropyrimidine
SMILESFc1cnc(Cl)nc1F
InChIInChI=1S/C4HClF2N2/c5-4-8-1-2(6)3(7)9-4/h1H
InChIKeyIFJJGURBXOAWDJ-UHFFFAOYSA-N
XLogP1.41
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.52
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-Bromopyrimidine
CID 78344
2,4,5-Trichloropyrimidine
CID 237259
2-Pyrimidinamine, 5-chloro-
CID 79479
5-Fluoropyrimidine
CID 69605
2-Fluoropyrimidine
CID 141643
2-Chloro-5-(trifluoromethyl)pyrimidine
CID 13317019
2-Chloropyrimidine
CID 74404
2,4-Difluoropyrimidine
CID 137716
5-Chloropyrimidine
CID 12600384
5-Methylpyrimidine
CID 74859
2,4-Dichloro-5-iodopyrimidine
CID 263438
2,4-Dichloro-5-fluoropyrimidine
CID 250705

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,5-difluoropyrimidine?
The IUPAC name of 2-chloro-4,5-difluoropyrimidine (CID 18318796) is 2-chloro-4,5-difluoropyrimidine.
What is the SMILES notation for 2-chloro-4,5-difluoropyrimidine?
The canonical SMILES for 2-chloro-4,5-difluoropyrimidine is Fc1cnc(Cl)nc1F.
What is the InChIKey of 2-chloro-4,5-difluoropyrimidine?
The InChIKey is IFJJGURBXOAWDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HClF2N2/c5-4-8-1-2(6)3(7)9-4/h1H.
What are the key properties of 2-chloro-4,5-difluoropyrimidine?
2-chloro-4,5-difluoropyrimidine has a molecular weight of 150.52 g/mol, XLogP of 1.41, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,5-difluoropyrimidine is sourced from PubChem (CID 18318796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).