2-chloro-6-(trifluoromethyl)pyridine;2-chloro-6-(trifluoromethyl)pyridine-4-carbaldehyde;1-[[4-[4-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;1-[[4-[4-(methoxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-6-(trifluoromethyl)pyridine-4-carbaldehyde

C68H57Cl2F15N8O7 — CID 158733668

IUPAC2-chloro-6-(trifluoromethyl)pyridine;2-chloro-6-(trifluoromethyl)pyridine-4-carbaldehyde;1-[[4-[4-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;1-[[4-[4-(methoxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-6-(trifluoromethyl)pyridine-4-carbaldehyde
SMILESCOCc1cc(-c2ccc(CN3CCCC3=O)cc2)nc(C(F)(F)F)c1.FC(F)(F)c1cccc(Cl)n1.O=C1CCCN1Cc1ccc(-c2cc(CO)cc(C(F)(F)F)n2)cc1.O=Cc1cc(-c2ccc(CN3CCCC3=O)cc2)nc(C(F)(F)F)c1.O=Cc1cc(Cl)nc(C(F)(F)F)c1
InChIInChI=1S/C19H19F3N2O2.C18H17F3N2O2.C18H15F3N2O2.C7H3ClF3NO.C6H3ClF3N/c1-26-12-14-9-16(23-17(10-14)19(20,21)22)15-6-4-13(5-7-15)11-24-8-2-3-18(24)25;2*19-18(20,21)16-9-13(11-24)8-15(22-16)14-5-3-12(4-6-14)10-23-7-1-2-17(23)25;8-6-2-4(3-13)1-5(12-6)7(9,10)11;7-5-3-1-2-4(11-5)6(8,9)10/h4-7,9-10H,2-3,8,11-12H2,1H3;3-6,8-9,24H,1-2,7,10-11H2;3-6,8-9,11H,1-2,7,10H2;1-3H;1-3H
InChIKeyILKFQNBRRXMYHD-UHFFFAOYSA-N
MW1454.13 g/mol
LogP16.44
Rot. Bonds14

About 2-chloro-6-(trifluoromethyl)pyridine;2-chloro-6-(trifluoromethyl)pyridine-4-carbaldehyde;1-[[4-[4-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;1-[[4-[4-(methoxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-6-(trifluoromethyl)pyridine-4-carbaldehyde

2-chloro-6-(trifluoromethyl)pyridine;2-chloro-6-(trifluoromethyl)pyridine-4-carbaldehyde;1-[[4-[4-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;1-[[4-[4-(methoxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-6-(trifluoromethyl)pyridine-4-carbaldehyde (PubChem CID 158733668) has the molecular formula C68H57Cl2F15N8O7 and a molecular weight of 1454.13 g/mol. Its IUPAC name is 2-chloro-6-(trifluoromethyl)pyridine;2-chloro-6-(trifluoromethyl)pyridine-4-carbaldehyde;1-[[4-[4-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;1-[[4-[4-(methoxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-6-(trifluoromethyl)pyridine-4-carbaldehyde.

Molecular Properties

Compound Name2-chloro-6-(trifluoromethyl)pyridine;2-chloro-6-(trifluoromethyl)pyridine-4-carbaldehyde;1-[[4-[4-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;1-[[4-[4-(methoxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-6-(trifluoromethyl)pyridine-4-carbaldehyde
PubChem CID158733668
Molecular FormulaC68H57Cl2F15N8O7
Molecular Weight1454.13 g/mol
Exact Mass1452.35
IUPAC Name2-chloro-6-(trifluoromethyl)pyridine;2-chloro-6-(trifluoromethyl)pyridine-4-carbaldehyde;1-[[4-[4-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;1-[[4-[4-(methoxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-6-(trifluoromethyl)pyridine-4-carbaldehyde
SMILESCOCc1cc(-c2ccc(CN3CCCC3=O)cc2)nc(C(F)(F)F)c1.FC(F)(F)c1cccc(Cl)n1.O=C1CCCN1Cc1ccc(-c2cc(CO)cc(C(F)(F)F)n2)cc1.O=Cc1cc(-c2ccc(CN3CCCC3=O)cc2)nc(C(F)(F)F)c1.O=Cc1cc(Cl)nc(C(F)(F)F)c1
InChIInChI=1S/C19H19F3N2O2.C18H17F3N2O2.C18H15F3N2O2.C7H3ClF3NO.C6H3ClF3N/c1-26-12-14-9-16(23-17(10-14)19(20,21)22)15-6-4-13(5-7-15)11-24-8-2-3-18(24)25;2*19-18(20,21)16-9-13(11-24)8-15(22-16)14-5-3-12(4-6-14)10-23-7-1-2-17(23)25;8-6-2-4(3-13)1-5(12-6)7(9,10)11;7-5-3-1-2-4(11-5)6(8,9)10/h4-7,9-10H,2-3,8,11-12H2,1H3;3-6,8-9,24H,1-2,7,10-11H2;3-6,8-9,11H,1-2,7,10H2;1-3H;1-3H
InChIKeyILKFQNBRRXMYHD-UHFFFAOYSA-N
XLogP16.44
TPSA188.98 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds14
Heavy Atoms100
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001454.13
LogP ≤ 516.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-[1'-(4-Benzylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-[4-(2-methylpropyl)phenyl]methanone;molecular hydrogen;2,2,2-trifluoro-1-[1'-[4-[1-hydroxy-2-(2,2,2-trifluoroethoxy)ethyl]benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone
CID 159352994
2-Chloro-6-(4-fluorophenyl)pyridine-4-carbaldehyde;1-[2-chloro-6-(4-fluorophenyl)-4-pyridinyl]ethanol;[2-chloro-6-(4-fluorophenyl)-4-pyridinyl]methanol;methyl 2-chloro-6-(4-fluorophenyl)pyridine-4-carboxylate;methyl 2,6-dichloropyridine-4-carboxylate
CID 158644802
[2-chloro-6-(difluoromethyl)-3-pyridinyl]methanol;2-chloro-6-methylpyridine-3-carboxylic acid;deuteriomethane;1-[[4-[6-(difluoromethyl)-3-(hydroxymethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;ethane;fluoromethane;methyl 2-chloro-6-(difluoromethyl)pyridine-3-carboxylate;methyl 2-chloro-6-[(E)-2-(dimethylamino)ethenyl]pyridine-3-carboxylate
CID 160349345
2-Chloro-6-(4-fluorophenyl)pyridine-4-carbaldehyde;1-[2-chloro-6-(4-fluorophenyl)-4-pyridinyl]ethanol;1-[2-chloro-6-(4-fluorophenyl)-4-pyridinyl]ethanone;[2-chloro-6-(4-fluorophenyl)-4-pyridinyl]methanol;methyl 2-chloro-6-(4-fluorophenyl)pyridine-4-carboxylate;methyl 2,6-dichloropyridine-4-carboxylate
CID 161560085

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(trifluoromethyl)pyridine;2-chloro-6-(trifluoromethyl)pyridine-4-carbaldehyde;1-[[4-[4-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;1-[[4-[4-(methoxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-6-(trifluoromethyl)pyridine-4-carbaldehyde?
The IUPAC name of 2-chloro-6-(trifluoromethyl)pyridine;2-chloro-6-(trifluoromethyl)pyridine-4-carbaldehyde;1-[[4-[4-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;1-[[4-[4-(methoxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-6-(trifluoromethyl)pyridine-4-carbaldehyde (CID 158733668) is 2-chloro-6-(trifluoromethyl)pyridine;2-chloro-6-(trifluoromethyl)pyridine-4-carbaldehyde;1-[[4-[4-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;1-[[4-[4-(methoxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-6-(trifluoromethyl)pyridine-4-carbaldehyde.
What is the SMILES notation for 2-chloro-6-(trifluoromethyl)pyridine;2-chloro-6-(trifluoromethyl)pyridine-4-carbaldehyde;1-[[4-[4-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;1-[[4-[4-(methoxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-6-(trifluoromethyl)pyridine-4-carbaldehyde?
The canonical SMILES for 2-chloro-6-(trifluoromethyl)pyridine;2-chloro-6-(trifluoromethyl)pyridine-4-carbaldehyde;1-[[4-[4-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;1-[[4-[4-(methoxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-6-(trifluoromethyl)pyridine-4-carbaldehyde is COCc1cc(-c2ccc(CN3CCCC3=O)cc2)nc(C(F)(F)F)c1.FC(F)(F)c1cccc(Cl)n1.O=C1CCCN1Cc1ccc(-c2cc(CO)cc(C(F)(F)F)n2)cc1.O=Cc1cc(-c2ccc(CN3CCCC3=O)cc2)nc(C(F)(F)F)c1.O=Cc1cc(Cl)nc(C(F)(F)F)c1.
What is the InChIKey of 2-chloro-6-(trifluoromethyl)pyridine;2-chloro-6-(trifluoromethyl)pyridine-4-carbaldehyde;1-[[4-[4-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;1-[[4-[4-(methoxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-6-(trifluoromethyl)pyridine-4-carbaldehyde?
The InChIKey is ILKFQNBRRXMYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O2.C18H17F3N2O2.C18H15F3N2O2.C7H3ClF3NO.C6H3ClF3N/c1-26-12-14-9-16(23-17(10-14)19(20,21)22)15-6-4-13(5-7-15)11-24-8-2-3-18(24)25;2*19-18(20,21)16-9-13(11-24)8-15(22-16)14-5-3-12(4-6-14)10-23-7-1-2-17(23)25;8-6-2-4(3-13)1-5(12-6)7(9,10)11;7-5-3-1-2-4(11-5)6(8,9)10/h4-7,9-10H,2-3,8,11-12H2,1H3;3-6,8-9,24H,1-2,7,10-11H2;3-6,8-9,11H,1-2,7,10H2;1-3H;1-3H.
What are the key properties of 2-chloro-6-(trifluoromethyl)pyridine;2-chloro-6-(trifluoromethyl)pyridine-4-carbaldehyde;1-[[4-[4-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;1-[[4-[4-(methoxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-6-(trifluoromethyl)pyridine-4-carbaldehyde?
2-chloro-6-(trifluoromethyl)pyridine;2-chloro-6-(trifluoromethyl)pyridine-4-carbaldehyde;1-[[4-[4-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;1-[[4-[4-(methoxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-6-(trifluoromethyl)pyridine-4-carbaldehyde has a molecular weight of 1454.13 g/mol, XLogP of 16.44, 14 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(trifluoromethyl)pyridine;2-chloro-6-(trifluoromethyl)pyridine-4-carbaldehyde;1-[[4-[4-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;1-[[4-[4-(methoxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-6-(trifluoromethyl)pyridine-4-carbaldehyde is sourced from PubChem (CID 158733668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).