4-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-6-methoxypyrimidine

C14H10ClF2N5O — CID 118277361

IUPAC4-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-6-methoxypyrimidine
SMILESCOc1cc(-c2cc(Cl)ccc2-n2cc(C(F)F)nn2)ncn1
InChIInChI=1S/C14H10ClF2N5O/c1-23-13-5-10(18-7-19-13)9-4-8(15)2-3-12(9)22-6-11(14(16)17)20-21-22/h2-7,14H,1H3
InChIKeyFBACRCJYFJMISD-UHFFFAOYSA-N
MW337.72 g/mol
LogP3.32
Rot. Bonds4

About 4-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-6-methoxypyrimidine

4-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-6-methoxypyrimidine (PubChem CID 118277361) has the molecular formula C14H10ClF2N5O and a molecular weight of 337.72 g/mol. Its IUPAC name is 4-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-6-methoxypyrimidine.

Molecular Properties

Compound Name4-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-6-methoxypyrimidine
PubChem CID118277361
Molecular FormulaC14H10ClF2N5O
Molecular Weight337.72 g/mol
Exact Mass337.05
IUPAC Name4-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-6-methoxypyrimidine
SMILESCOc1cc(-c2cc(Cl)ccc2-n2cc(C(F)F)nn2)ncn1
InChIInChI=1S/C14H10ClF2N5O/c1-23-13-5-10(18-7-19-13)9-4-8(15)2-3-12(9)22-6-11(14(16)17)20-21-22/h2-7,14H,1H3
InChIKeyFBACRCJYFJMISD-UHFFFAOYSA-N
XLogP3.32
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.72
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-(4-bromotriazol-1-yl)-5-chlorophenyl]-6-methoxypyrimidine
CID 118277210
[1-[4-chloro-2-(6-methoxypyrimidin-4-yl)phenyl]triazol-4-yl]-dimethylsulfanium
CID 146838452
4-[5-ethyl-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-6-methoxypyrimidine
CID 118277193
4-(2-bromo-5-chlorophenyl)-6-methoxypyrimidine
CID 118277786
4-(2,4-dichlorophenyl)-6-methoxypyrimidine
CID 50971015
4-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-ethenyl-2-methoxypyridine
CID 167169918
1-[1-(4-chloro-2-fluorophenyl)triazol-4-yl]-2-methylpropan-1-amine
CID 114202203
tert-butyl 2-[4-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]hexanoate
CID 135205339
1-[4-chloro-2-(2-methoxy-4-pyridinyl)phenyl]triazole-4-carbonitrile
CID 171779034
4-[[(2S)-2-[4-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]propanoyl]amino]-2-fluorobenzamide
CID 135205975
1-[4-chloro-2-(2-methoxy-4-pyridinyl)phenyl]triazole-4-carboxamide
CID 171779048
2-[4-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-quinoxalin-6-ylhexanamide
CID 135205951

Frequently Asked Questions

What is the IUPAC name of 4-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-6-methoxypyrimidine?
The IUPAC name of 4-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-6-methoxypyrimidine (CID 118277361) is 4-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-6-methoxypyrimidine.
What is the SMILES notation for 4-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-6-methoxypyrimidine?
The canonical SMILES for 4-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-6-methoxypyrimidine is COc1cc(-c2cc(Cl)ccc2-n2cc(C(F)F)nn2)ncn1.
What is the InChIKey of 4-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-6-methoxypyrimidine?
The InChIKey is FBACRCJYFJMISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF2N5O/c1-23-13-5-10(18-7-19-13)9-4-8(15)2-3-12(9)22-6-11(14(16)17)20-21-22/h2-7,14H,1H3.
What are the key properties of 4-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-6-methoxypyrimidine?
4-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-6-methoxypyrimidine has a molecular weight of 337.72 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-6-methoxypyrimidine is sourced from PubChem (CID 118277361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).