4-chloro-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-(difluoromethyl)pyrimidine

C11H4Cl2F5N3 — CID 103596060

IUPAC4-chloro-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-(difluoromethyl)pyrimidine
SMILESFC(F)c1cc(Cl)nc(-c2ncc(C(F)(F)F)cc2Cl)n1
InChIInChI=1S/C11H4Cl2F5N3/c12-5-1-4(11(16,17)18)3-19-8(5)10-20-6(9(14)15)2-7(13)21-10/h1-3,9H
InChIKeyHXGIQSGEJFSCQE-UHFFFAOYSA-N
MW344.07 g/mol
LogP4.80
Rot. Bonds2

About 4-chloro-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-(difluoromethyl)pyrimidine

4-chloro-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-(difluoromethyl)pyrimidine (PubChem CID 103596060) has the molecular formula C11H4Cl2F5N3 and a molecular weight of 344.07 g/mol. Its IUPAC name is 4-chloro-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-(difluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-(difluoromethyl)pyrimidine
PubChem CID103596060
Molecular FormulaC11H4Cl2F5N3
Molecular Weight344.07 g/mol
Exact Mass342.97
IUPAC Name4-chloro-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-(difluoromethyl)pyrimidine
SMILESFC(F)c1cc(Cl)nc(-c2ncc(C(F)(F)F)cc2Cl)n1
InChIInChI=1S/C11H4Cl2F5N3/c12-5-1-4(11(16,17)18)3-19-8(5)10-20-6(9(14)15)2-7(13)21-10/h1-3,9H
InChIKeyHXGIQSGEJFSCQE-UHFFFAOYSA-N
XLogP4.80
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.07
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-6-(difluoromethyl)-4-(trifluoromethyl)pyridine
CID 119003399
2-bromo-3-chloro-5-(trifluoromethyl)pyridine
CID 2736237
5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-methyl-2-oxopyridine-3-carbonitrile
CID 103595987
2-chloro-5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]benzoyl chloride
CID 19068751
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-methyl-1,3-thiazole-4-carboxylic acid
CID 103596049
2-chloro-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]benzoic acid
CID 68945828
2-chloro-5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-fluorobenzaldehyde
CID 15335409
3-chloro-2-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethenyl]-5-(trifluoromethyl)pyridine
CID 53396566
3-chloro-2-(1-fluoro-2-iodoethyl)-5-(trifluoromethyl)pyridine
CID 163548685
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,2,2-trifluoroethanone
CID 137346954
1,3-dichloro-2-(difluoromethyl)-5-(trifluoromethyl)benzene
CID 171009487
[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]-(4-methoxyphenyl)methanone
CID 1480210

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-(difluoromethyl)pyrimidine?
The IUPAC name of 4-chloro-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-(difluoromethyl)pyrimidine (CID 103596060) is 4-chloro-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-(difluoromethyl)pyrimidine.
What is the SMILES notation for 4-chloro-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-(difluoromethyl)pyrimidine?
The canonical SMILES for 4-chloro-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-(difluoromethyl)pyrimidine is FC(F)c1cc(Cl)nc(-c2ncc(C(F)(F)F)cc2Cl)n1.
What is the InChIKey of 4-chloro-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-(difluoromethyl)pyrimidine?
The InChIKey is HXGIQSGEJFSCQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H4Cl2F5N3/c12-5-1-4(11(16,17)18)3-19-8(5)10-20-6(9(14)15)2-7(13)21-10/h1-3,9H.
What are the key properties of 4-chloro-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-(difluoromethyl)pyrimidine?
4-chloro-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-(difluoromethyl)pyrimidine has a molecular weight of 344.07 g/mol, XLogP of 4.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-(difluoromethyl)pyrimidine is sourced from PubChem (CID 103596060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).