4,6-dichloro-2-(4-fluoronaphthalen-1-yl)pyrimidine

C14H7Cl2FN2 — CID 114088705

IUPAC4,6-dichloro-2-(4-fluoronaphthalen-1-yl)pyrimidine
SMILESFc1ccc(-c2nc(Cl)cc(Cl)n2)c2ccccc12
InChIInChI=1S/C14H7Cl2FN2/c15-12-7-13(16)19-14(18-12)10-5-6-11(17)9-4-2-1-3-8(9)10/h1-7H
InChIKeyOMWPFWJSSHRTCS-UHFFFAOYSA-N
MW293.13 g/mol
LogP4.74
Rot. Bonds1

About 4,6-dichloro-2-(4-fluoronaphthalen-1-yl)pyrimidine

4,6-dichloro-2-(4-fluoronaphthalen-1-yl)pyrimidine (PubChem CID 114088705) has the molecular formula C14H7Cl2FN2 and a molecular weight of 293.13 g/mol. Its IUPAC name is 4,6-dichloro-2-(4-fluoronaphthalen-1-yl)pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-2-(4-fluoronaphthalen-1-yl)pyrimidine
PubChem CID114088705
Molecular FormulaC14H7Cl2FN2
Molecular Weight293.13 g/mol
Exact Mass292.00
IUPAC Name4,6-dichloro-2-(4-fluoronaphthalen-1-yl)pyrimidine
SMILESFc1ccc(-c2nc(Cl)cc(Cl)n2)c2ccccc12
InChIInChI=1S/C14H7Cl2FN2/c15-12-7-13(16)19-14(18-12)10-5-6-11(17)9-4-2-1-3-8(9)10/h1-7H
InChIKeyOMWPFWJSSHRTCS-UHFFFAOYSA-N
XLogP4.74
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.13
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2-(4-fluoronaphthalen-1-yl)aniline
CID 81274759
1-fluoro-4-(2,3,4-trichlorophenyl)naphthalene
CID 118847360
4-chloro-2-(2,3,4-trifluorophenyl)quinazoline
CID 79749850
4,6-dichloro-2-(4-chlorophenyl)pyrimidine
CID 22353517
1-fluoro-4-phenylnaphthalene
CID 46314926
4-chloro-6-(2,4-difluorophenyl)-2-phenylpyrimidine
CID 115915006
4,6-dichloro-2-(2-ethylphenyl)pyrimidine
CID 63612271
4-chloro-2-[2-(fluoromethyl)phenyl]-6-(2-fluorophenyl)pyrimidine
CID 88943269
4-chloro-6-cyclopropyl-2-naphthalen-1-ylpyrimidine
CID 63354926
4-(4,6-dichloro-5-fluoropyrimidin-2-yl)quinoline
CID 80550830
2,4-dichloro-6-(4-methylnaphthalen-1-yl)-1,3,5-triazine
CID 71361703
2-(4-fluoronaphthalen-1-yl)phenol
CID 174532409

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-(4-fluoronaphthalen-1-yl)pyrimidine?
The IUPAC name of 4,6-dichloro-2-(4-fluoronaphthalen-1-yl)pyrimidine (CID 114088705) is 4,6-dichloro-2-(4-fluoronaphthalen-1-yl)pyrimidine.
What is the SMILES notation for 4,6-dichloro-2-(4-fluoronaphthalen-1-yl)pyrimidine?
The canonical SMILES for 4,6-dichloro-2-(4-fluoronaphthalen-1-yl)pyrimidine is Fc1ccc(-c2nc(Cl)cc(Cl)n2)c2ccccc12.
What is the InChIKey of 4,6-dichloro-2-(4-fluoronaphthalen-1-yl)pyrimidine?
The InChIKey is OMWPFWJSSHRTCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7Cl2FN2/c15-12-7-13(16)19-14(18-12)10-5-6-11(17)9-4-2-1-3-8(9)10/h1-7H.
What are the key properties of 4,6-dichloro-2-(4-fluoronaphthalen-1-yl)pyrimidine?
4,6-dichloro-2-(4-fluoronaphthalen-1-yl)pyrimidine has a molecular weight of 293.13 g/mol, XLogP of 4.74, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-(4-fluoronaphthalen-1-yl)pyrimidine is sourced from PubChem (CID 114088705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).