2-[6-[4-chloro-2-(difluoromethoxy)phenyl]-2-pyridinyl]-4-methylpyrimidine

C17H12ClF2N3O — CID 139724268

IUPAC2-[6-[4-chloro-2-(difluoromethoxy)phenyl]-2-pyridinyl]-4-methylpyrimidine
SMILESCc1ccnc(-c2cccc(-c3ccc(Cl)cc3OC(F)F)n2)n1
InChIInChI=1S/C17H12ClF2N3O/c1-10-7-8-21-16(22-10)14-4-2-3-13(23-14)12-6-5-11(18)9-15(12)24-17(19)20/h2-9,17H,1H3
InChIKeyLIFINZFWLITUEZ-UHFFFAOYSA-N
MW347.75 g/mol
LogP4.77
Rot. Bonds4

About 2-[6-[4-chloro-2-(difluoromethoxy)phenyl]-2-pyridinyl]-4-methylpyrimidine

2-[6-[4-chloro-2-(difluoromethoxy)phenyl]-2-pyridinyl]-4-methylpyrimidine (PubChem CID 139724268) has the molecular formula C17H12ClF2N3O and a molecular weight of 347.75 g/mol. Its IUPAC name is 2-[6-[4-chloro-2-(difluoromethoxy)phenyl]-2-pyridinyl]-4-methylpyrimidine.

Molecular Properties

Compound Name2-[6-[4-chloro-2-(difluoromethoxy)phenyl]-2-pyridinyl]-4-methylpyrimidine
PubChem CID139724268
Molecular FormulaC17H12ClF2N3O
Molecular Weight347.75 g/mol
Exact Mass347.06
IUPAC Name2-[6-[4-chloro-2-(difluoromethoxy)phenyl]-2-pyridinyl]-4-methylpyrimidine
SMILESCc1ccnc(-c2cccc(-c3ccc(Cl)cc3OC(F)F)n2)n1
InChIInChI=1S/C17H12ClF2N3O/c1-10-7-8-21-16(22-10)14-4-2-3-13(23-14)12-6-5-11(18)9-15(12)24-17(19)20/h2-9,17H,1H3
InChIKeyLIFINZFWLITUEZ-UHFFFAOYSA-N
XLogP4.77
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.75
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-Chlorophenoxy)-6-methyl-2-(2-pyridyl)pyrimidine
CID 2725932
3-Fluoropropyl 4-[4-(2-pyridinyl)-2-pyrimidinyl]phenyl ether
CID 4673337
2-(2-Pyridinyl)-4-(trifluoromethyl)-6-[3-(trifluoromethyl)phenoxy]pyrimidine
CID 1475724
4-(4-Chlorophenoxy)-2-(2-pyridinyl)-6-(trifluoromethyl)pyrimidine
CID 1475725
4-(2-Chlorophenoxy)-2-(2-pyridinyl)-6-(trifluoromethyl)pyrimidine
CID 1478446
4-(2-Chloro-5-methoxyanilino)-2-(4-pyridinyl)-6-(trifluoromethyl)pyrimidine
CID 10110345
4-(2-Chloro-5-methoxyanilino)-2-(3-pyridinyl)-6-(trifluoromethyl)pyrimidine
CID 10177828
(S)-6-Chloro-5-(2,6-difluoro-4-(3-(methylamino)propoxy)phenyl)-2-(pyridin-2-yl)-N-(1,1,1-trifluoropropan-2-yl)pyrimidin-4-amine
CID 11397947
(5-(4-Chlorophenyl)-2-(2-methoxyphenyl)-7-methylimidazo[1,2-a]pyrimidin-6-yl)methanamine
CID 11653749
(5-(4-Chloro-3-fluorophenyl)-2-(2-methoxyphenyl)-7-methylimidazo[1,2-a]pyrimidin-6-yl)methanamine
CID 11696912
4-(5-Chloro-2-methoxyanilino)-2-(3-pyridinyl)-6-trifluoromethylpyrimidine
CID 22732469
6-chloro-5-[2,6-difluoro-4-[3-(methylamino)propoxy]phenyl]-2-pyridin-2-yl-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidin-4-amine;hydrochloride
CID 25211683

Frequently Asked Questions

What is the IUPAC name of 2-[6-[4-chloro-2-(difluoromethoxy)phenyl]-2-pyridinyl]-4-methylpyrimidine?
The IUPAC name of 2-[6-[4-chloro-2-(difluoromethoxy)phenyl]-2-pyridinyl]-4-methylpyrimidine (CID 139724268) is 2-[6-[4-chloro-2-(difluoromethoxy)phenyl]-2-pyridinyl]-4-methylpyrimidine.
What is the SMILES notation for 2-[6-[4-chloro-2-(difluoromethoxy)phenyl]-2-pyridinyl]-4-methylpyrimidine?
The canonical SMILES for 2-[6-[4-chloro-2-(difluoromethoxy)phenyl]-2-pyridinyl]-4-methylpyrimidine is Cc1ccnc(-c2cccc(-c3ccc(Cl)cc3OC(F)F)n2)n1.
What is the InChIKey of 2-[6-[4-chloro-2-(difluoromethoxy)phenyl]-2-pyridinyl]-4-methylpyrimidine?
The InChIKey is LIFINZFWLITUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClF2N3O/c1-10-7-8-21-16(22-10)14-4-2-3-13(23-14)12-6-5-11(18)9-15(12)24-17(19)20/h2-9,17H,1H3.
What are the key properties of 2-[6-[4-chloro-2-(difluoromethoxy)phenyl]-2-pyridinyl]-4-methylpyrimidine?
2-[6-[4-chloro-2-(difluoromethoxy)phenyl]-2-pyridinyl]-4-methylpyrimidine has a molecular weight of 347.75 g/mol, XLogP of 4.77, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[4-chloro-2-(difluoromethoxy)phenyl]-2-pyridinyl]-4-methylpyrimidine is sourced from PubChem (CID 139724268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).