4-(6-chloro-4-methoxy-2H-pyridin-1-yl)-2-(trifluoromethyl)pyridine

C12H10ClF3N2O — CID 172789950

IUPAC4-(6-chloro-4-methoxy-2H-pyridin-1-yl)-2-(trifluoromethyl)pyridine
SMILESCOC1=CCN(c2ccnc(C(F)(F)F)c2)C(Cl)=C1
InChIInChI=1S/C12H10ClF3N2O/c1-19-9-3-5-18(11(13)7-9)8-2-4-17-10(6-8)12(14,15)16/h2-4,6-7H,5H2,1H3
InChIKeyPKRMUDDXYGIDSO-UHFFFAOYSA-N
MW290.67 g/mol
LogP3.53
Rot. Bonds2

About 4-(6-chloro-4-methoxy-2H-pyridin-1-yl)-2-(trifluoromethyl)pyridine

4-(6-chloro-4-methoxy-2H-pyridin-1-yl)-2-(trifluoromethyl)pyridine (PubChem CID 172789950) has the molecular formula C12H10ClF3N2O and a molecular weight of 290.67 g/mol. Its IUPAC name is 4-(6-chloro-4-methoxy-2H-pyridin-1-yl)-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name4-(6-chloro-4-methoxy-2H-pyridin-1-yl)-2-(trifluoromethyl)pyridine
PubChem CID172789950
Molecular FormulaC12H10ClF3N2O
Molecular Weight290.67 g/mol
Exact Mass290.04
IUPAC Name4-(6-chloro-4-methoxy-2H-pyridin-1-yl)-2-(trifluoromethyl)pyridine
SMILESCOC1=CCN(c2ccnc(C(F)(F)F)c2)C(Cl)=C1
InChIInChI=1S/C12H10ClF3N2O/c1-19-9-3-5-18(11(13)7-9)8-2-4-17-10(6-8)12(14,15)16/h2-4,6-7H,5H2,1H3
InChIKeyPKRMUDDXYGIDSO-UHFFFAOYSA-N
XLogP3.53
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.67
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

1-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidin-2-one
CID 166609012
4-(4-methoxypyrimidin-2-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]piperazin-2-one
CID 139028770
4-sulfanyl-1-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidin-2-one
CID 168710403
(2S,6R)-2,6-dimethyl-4-[2-(trifluoromethyl)-4-pyridinyl]morpholine
CID 155974206
1-phenyl-4-[2-(trifluoromethyl)-4-pyridinyl]piperazine
CID 175649905
1-[2-(trifluoromethyl)-4-pyridinyl]piperazine;dihydrochloride
CID 154825576
N-chloro-1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-amine
CID 118054993
5-(1-methoxyethyl)-2-[2-(trifluoromethyl)-4-pyridinyl]-4H-pyrazol-3-one
CID 167946676
1-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-4-amine
CID 134821905
4-[3-(4-methoxyphenyl)propanoyl]-1-[2-(trifluoromethyl)-4-pyridinyl]piperazin-2-one
CID 139023411
2-(trifluoromethyl)pyridin-4-amine
CID 10261388
2-(methoxymethyl)-4-[2-(trifluoromethyl)-4-pyridinyl]morpholine
CID 122156203

Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-4-methoxy-2H-pyridin-1-yl)-2-(trifluoromethyl)pyridine?
The IUPAC name of 4-(6-chloro-4-methoxy-2H-pyridin-1-yl)-2-(trifluoromethyl)pyridine (CID 172789950) is 4-(6-chloro-4-methoxy-2H-pyridin-1-yl)-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 4-(6-chloro-4-methoxy-2H-pyridin-1-yl)-2-(trifluoromethyl)pyridine?
The canonical SMILES for 4-(6-chloro-4-methoxy-2H-pyridin-1-yl)-2-(trifluoromethyl)pyridine is COC1=CCN(c2ccnc(C(F)(F)F)c2)C(Cl)=C1.
What is the InChIKey of 4-(6-chloro-4-methoxy-2H-pyridin-1-yl)-2-(trifluoromethyl)pyridine?
The InChIKey is PKRMUDDXYGIDSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClF3N2O/c1-19-9-3-5-18(11(13)7-9)8-2-4-17-10(6-8)12(14,15)16/h2-4,6-7H,5H2,1H3.
What are the key properties of 4-(6-chloro-4-methoxy-2H-pyridin-1-yl)-2-(trifluoromethyl)pyridine?
4-(6-chloro-4-methoxy-2H-pyridin-1-yl)-2-(trifluoromethyl)pyridine has a molecular weight of 290.67 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-4-methoxy-2H-pyridin-1-yl)-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 172789950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).