4-chloro-6-[4-chloro-5-(difluoromethyl)-3-methylpyrazol-1-yl]pyrimidine

C9H6Cl2F2N4 — CID 134440048

IUPAC4-chloro-6-[4-chloro-5-(difluoromethyl)-3-methylpyrazol-1-yl]pyrimidine
SMILESCc1nn(-c2cc(Cl)ncn2)c(C(F)F)c1Cl
InChIInChI=1S/C9H6Cl2F2N4/c1-4-7(11)8(9(12)13)17(16-4)6-2-5(10)14-3-15-6/h2-3,9H,1H3
InChIKeyFROYHBPMQVKGHA-UHFFFAOYSA-N
MW279.08 g/mol
LogP3.22
Rot. Bonds2

About 4-chloro-6-[4-chloro-5-(difluoromethyl)-3-methylpyrazol-1-yl]pyrimidine

4-chloro-6-[4-chloro-5-(difluoromethyl)-3-methylpyrazol-1-yl]pyrimidine (PubChem CID 134440048) has the molecular formula C9H6Cl2F2N4 and a molecular weight of 279.08 g/mol. Its IUPAC name is 4-chloro-6-[4-chloro-5-(difluoromethyl)-3-methylpyrazol-1-yl]pyrimidine.

Molecular Properties

Compound Name4-chloro-6-[4-chloro-5-(difluoromethyl)-3-methylpyrazol-1-yl]pyrimidine
PubChem CID134440048
Molecular FormulaC9H6Cl2F2N4
Molecular Weight279.08 g/mol
Exact Mass277.99
IUPAC Name4-chloro-6-[4-chloro-5-(difluoromethyl)-3-methylpyrazol-1-yl]pyrimidine
SMILESCc1nn(-c2cc(Cl)ncn2)c(C(F)F)c1Cl
InChIInChI=1S/C9H6Cl2F2N4/c1-4-7(11)8(9(12)13)17(16-4)6-2-5(10)14-3-15-6/h2-3,9H,1H3
InChIKeyFROYHBPMQVKGHA-UHFFFAOYSA-N
XLogP3.22
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.08
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[4-chloro-5-(difluoromethyl)-3-methylpyrazol-1-yl]pyrimidine?
The IUPAC name of 4-chloro-6-[4-chloro-5-(difluoromethyl)-3-methylpyrazol-1-yl]pyrimidine (CID 134440048) is 4-chloro-6-[4-chloro-5-(difluoromethyl)-3-methylpyrazol-1-yl]pyrimidine.
What is the SMILES notation for 4-chloro-6-[4-chloro-5-(difluoromethyl)-3-methylpyrazol-1-yl]pyrimidine?
The canonical SMILES for 4-chloro-6-[4-chloro-5-(difluoromethyl)-3-methylpyrazol-1-yl]pyrimidine is Cc1nn(-c2cc(Cl)ncn2)c(C(F)F)c1Cl.
What is the InChIKey of 4-chloro-6-[4-chloro-5-(difluoromethyl)-3-methylpyrazol-1-yl]pyrimidine?
The InChIKey is FROYHBPMQVKGHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2F2N4/c1-4-7(11)8(9(12)13)17(16-4)6-2-5(10)14-3-15-6/h2-3,9H,1H3.
What are the key properties of 4-chloro-6-[4-chloro-5-(difluoromethyl)-3-methylpyrazol-1-yl]pyrimidine?
4-chloro-6-[4-chloro-5-(difluoromethyl)-3-methylpyrazol-1-yl]pyrimidine has a molecular weight of 279.08 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[4-chloro-5-(difluoromethyl)-3-methylpyrazol-1-yl]pyrimidine is sourced from PubChem (CID 134440048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).