4-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-3-methoxypyridine

C15H10ClF3N4O — CID 152632273

IUPAC4-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-3-methoxypyridine
SMILESCOc1cnccc1-c1cc(Cl)ccc1-n1cc(C(F)(F)F)nn1
InChIInChI=1S/C15H10ClF3N4O/c1-24-13-7-20-5-4-10(13)11-6-9(16)2-3-12(11)23-8-14(21-22-23)15(17,18)19/h2-8H,1H3
InChIKeyZDUASFLTFUXNAX-UHFFFAOYSA-N
MW354.72 g/mol
LogP4.01
Rot. Bonds3

About 4-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-3-methoxypyridine

4-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-3-methoxypyridine (PubChem CID 152632273) has the molecular formula C15H10ClF3N4O and a molecular weight of 354.72 g/mol. Its IUPAC name is 4-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-3-methoxypyridine.

Molecular Properties

Compound Name4-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-3-methoxypyridine
PubChem CID152632273
Molecular FormulaC15H10ClF3N4O
Molecular Weight354.72 g/mol
Exact Mass354.05
IUPAC Name4-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-3-methoxypyridine
SMILESCOc1cnccc1-c1cc(Cl)ccc1-n1cc(C(F)(F)F)nn1
InChIInChI=1S/C15H10ClF3N4O/c1-24-13-7-20-5-4-10(13)11-6-9(16)2-3-12(11)23-8-14(21-22-23)15(17,18)19/h2-8H,1H3
InChIKeyZDUASFLTFUXNAX-UHFFFAOYSA-N
XLogP4.01
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.72
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-4-[(4-methoxyphenyl)methyl]-3,3a-dihydro-2H-furo[3,2-b]pyridine
CID 175989563
4-[[(2S)-2-[4-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]butanoyl]amino]-2-fluorobenzoic acid
CID 168873663
(2S)-N-[4-(1-aminoethenyl)-3-fluorophenyl]-2-[4-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]butanamide
CID 157299395
4-[2-[4-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]butanoyl]-2-fluorobenzoic acid
CID 175461433
tert-butyl 4-[[2-[4-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-2-fluoroacetyl]amino]benzoate
CID 168875319
4-[(3S)-3-[4-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-2-oxobutyl]-2-fluorobenzamide
CID 149428433
4-[2-[4-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]pentanoylamino]-2-fluorobenzamide
CID 135205430
(10R,14S)-14-[4-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-6-oxopyrimidin-1-yl]-10-methyl-5,8,17-triazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-9-one
CID 118277143
methyl 6-[1-[4-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]propyl]naphthalene-2-carboxylate
CID 171393932
4-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-5-methoxy-1-[1-(2-methylindazol-5-yl)-2-oxopentan-3-yl]pyridin-2-one
CID 157250809
6-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-3-(10-methyl-9-oxo-5,8,17-triazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-14-yl)-4H-pyrimidine-5-carbaldehyde
CID 123514077
N-(7-amino-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-[4-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]butanamide
CID 171775895

Frequently Asked Questions

What is the IUPAC name of 4-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-3-methoxypyridine?
The IUPAC name of 4-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-3-methoxypyridine (CID 152632273) is 4-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-3-methoxypyridine.
What is the SMILES notation for 4-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-3-methoxypyridine?
The canonical SMILES for 4-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-3-methoxypyridine is COc1cnccc1-c1cc(Cl)ccc1-n1cc(C(F)(F)F)nn1.
What is the InChIKey of 4-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-3-methoxypyridine?
The InChIKey is ZDUASFLTFUXNAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF3N4O/c1-24-13-7-20-5-4-10(13)11-6-9(16)2-3-12(11)23-8-14(21-22-23)15(17,18)19/h2-8H,1H3.
What are the key properties of 4-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-3-methoxypyridine?
4-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-3-methoxypyridine has a molecular weight of 354.72 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-3-methoxypyridine is sourced from PubChem (CID 152632273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).