3-chloro-2-propan-2-ylpyridine;1-(difluoromethoxy)-2-propan-2-ylbenzene;3,5-difluoro-2-propan-2-ylbenzonitrile;5-fluoro-2-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;2-propan-2-ylpyridine;1-propan-2-yl-2-(trifluoromethoxy)benzene

C84H105ClF8N4O3 — CID 158887047

IUPAC3-chloro-2-propan-2-ylpyridine;1-(difluoromethoxy)-2-propan-2-ylbenzene;3,5-difluoro-2-propan-2-ylbenzonitrile;5-fluoro-2-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;2-propan-2-ylpyridine;1-propan-2-yl-2-(trifluoromethoxy)benzene
SMILESCC(C)c1c(F)cc(F)cc1C#N.CC(C)c1ccc(F)cn1.CC(C)c1ccccc1OC(F)(F)F.CC(C)c1ccccc1OC(F)F.CC(C)c1ccccn1.CC(C)c1ncccc1Cl.COc1ccccc1C(C)C.Cc1cccc(C(C)C)c1.Cc1ccccc1C(C)C
InChIInChI=1S/C10H11F3O.C10H9F2N.C10H12F2O.C10H14O.2C10H14.C8H10ClN.C8H10FN.C8H11N/c1-7(2)8-5-3-4-6-9(8)14-10(11,12)13;1-6(2)10-7(5-13)3-8(11)4-9(10)12;1-7(2)8-5-3-4-6-9(8)13-10(11)12;1-8(2)9-6-4-5-7-10(9)11-3;1-8(2)10-6-4-5-9(3)7-10;1-8(2)10-7-5-4-6-9(10)3;1-6(2)8-7(9)4-3-5-10-8;1-6(2)8-4-3-7(9)5-10-8;1-7(2)8-5-3-4-6-9-8/h3-7H,1-2H3;3-4,6H,1-2H3;3-7,10H,1-2H3;4-8H,1-3H3;2*4-8H,1-3H3;2*3-6H,1-2H3;3-7H,1-2H3
InChIKeyJDTIYOOPRCJWMF-UHFFFAOYSA-N
MW1406.23 g/mol
LogP26.54
Rot. Bonds13

About 3-chloro-2-propan-2-ylpyridine;1-(difluoromethoxy)-2-propan-2-ylbenzene;3,5-difluoro-2-propan-2-ylbenzonitrile;5-fluoro-2-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;2-propan-2-ylpyridine;1-propan-2-yl-2-(trifluoromethoxy)benzene

3-chloro-2-propan-2-ylpyridine;1-(difluoromethoxy)-2-propan-2-ylbenzene;3,5-difluoro-2-propan-2-ylbenzonitrile;5-fluoro-2-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;2-propan-2-ylpyridine;1-propan-2-yl-2-(trifluoromethoxy)benzene (PubChem CID 158887047) has the molecular formula C84H105ClF8N4O3 and a molecular weight of 1406.23 g/mol. Its IUPAC name is 3-chloro-2-propan-2-ylpyridine;1-(difluoromethoxy)-2-propan-2-ylbenzene;3,5-difluoro-2-propan-2-ylbenzonitrile;5-fluoro-2-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;2-propan-2-ylpyridine;1-propan-2-yl-2-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name3-chloro-2-propan-2-ylpyridine;1-(difluoromethoxy)-2-propan-2-ylbenzene;3,5-difluoro-2-propan-2-ylbenzonitrile;5-fluoro-2-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;2-propan-2-ylpyridine;1-propan-2-yl-2-(trifluoromethoxy)benzene
PubChem CID158887047
Molecular FormulaC84H105ClF8N4O3
Molecular Weight1406.23 g/mol
Exact Mass1404.77
IUPAC Name3-chloro-2-propan-2-ylpyridine;1-(difluoromethoxy)-2-propan-2-ylbenzene;3,5-difluoro-2-propan-2-ylbenzonitrile;5-fluoro-2-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;2-propan-2-ylpyridine;1-propan-2-yl-2-(trifluoromethoxy)benzene
SMILESCC(C)c1c(F)cc(F)cc1C#N.CC(C)c1ccc(F)cn1.CC(C)c1ccccc1OC(F)(F)F.CC(C)c1ccccc1OC(F)F.CC(C)c1ccccn1.CC(C)c1ncccc1Cl.COc1ccccc1C(C)C.Cc1cccc(C(C)C)c1.Cc1ccccc1C(C)C
InChIInChI=1S/C10H11F3O.C10H9F2N.C10H12F2O.C10H14O.2C10H14.C8H10ClN.C8H10FN.C8H11N/c1-7(2)8-5-3-4-6-9(8)14-10(11,12)13;1-6(2)10-7(5-13)3-8(11)4-9(10)12;1-7(2)8-5-3-4-6-9(8)13-10(11)12;1-8(2)9-6-4-5-7-10(9)11-3;1-8(2)10-6-4-5-9(3)7-10;1-8(2)10-7-5-4-6-9(10)3;1-6(2)8-7(9)4-3-5-10-8;1-6(2)8-4-3-7(9)5-10-8;1-7(2)8-5-3-4-6-9-8/h3-7H,1-2H3;3-4,6H,1-2H3;3-7,10H,1-2H3;4-8H,1-3H3;2*4-8H,1-3H3;2*3-6H,1-2H3;3-7H,1-2H3
InChIKeyJDTIYOOPRCJWMF-UHFFFAOYSA-N
XLogP26.54
TPSA90.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms100
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001406.23
LogP ≤ 526.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-chloro-2-propan-2-ylpyridine;1-(difluoromethoxy)-2-propan-2-ylbenzene;3,5-difluoro-2-propan-2-ylbenzonitrile;5-fluoro-2-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;2-propan-2-ylpyridine;1-propan-2-yl-2-(trifluoromethoxy)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[4-[3-chloro-4-[3-[5-[(3-fluoropropylamino)methyl]-6-methoxy-2-pyridinyl]-2-(trifluoromethyl)phenyl]-2-pyridinyl]-2-methoxyphenyl]methyl]-3-fluoropropan-1-amine
CID 170697393
2-[4-Fluoro-2-[5-fluoro-3-[(4-methoxyphenyl)methyl]-2-pyridin-2-ylphenyl]-6-[(4-methoxyphenyl)methyl]phenyl]pyridine
CID 134833888
5-(3'-Chloro-6-difluoromethoxy-biphenyl-3-ylmethyl)-pyridine-2-carbonitrile
CID 57703713
5-[[3-(3-Chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carbonitrile
CID 57703722
4-[[3-(3-Chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carbonitrile
CID 58019937
(1S)-1-(5-chloropyridin-2-yl)-N-[(4-fluoro-2-methoxyphenyl)methyl]-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethanamine
CID 58920645
1-(5-chloropyridin-2-yl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-N-[(2-methoxyphenyl)methyl]-2-phenylethanamine
CID 58921547
5-(3'-Chloro2-fluoro-6-difluoromethoxy-biphenyl-3-ylmethyl)-pyridine-2-carbonitrile
CID 68789779
4-[4-Cyano-3-fluoro-2-[[4-(5-nonyl-2-pyridinyl)cyclohexyl]methyl]phenoxy]-2-fluoro-3-[[4-(5-nonyl-2-pyridinyl)cyclohexyl]methyl]benzonitrile
CID 70350215
1-(5-chloro-2-pyridinyl)-N-[(4-fluoro-2-methoxyphenyl)methyl]-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethanamine
CID 72463418
5-Chloro-2-[6-fluoro-2-[4-(pyridin-3-ylmethoxy)phenyl]-3-[4-(pyridin-4-ylmethoxy)phenyl]phenyl]pyridine
CID 141034041
N-[3-chloro-4-[5-[[4-(5-cyano-6-methoxy-4-pyridin-4-yl-2-pyridinyl)phenyl]azaniumylidynemethyl]-4-(4-fluorophenyl)-6-methoxy-2-pyridinyl]phenyl]-6-(3-chlorophenyl)-4-(4-fluorophenyl)-2-methoxypyridine-3-carbonitrilium
CID 154644738

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-propan-2-ylpyridine;1-(difluoromethoxy)-2-propan-2-ylbenzene;3,5-difluoro-2-propan-2-ylbenzonitrile;5-fluoro-2-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;2-propan-2-ylpyridine;1-propan-2-yl-2-(trifluoromethoxy)benzene?
The IUPAC name of 3-chloro-2-propan-2-ylpyridine;1-(difluoromethoxy)-2-propan-2-ylbenzene;3,5-difluoro-2-propan-2-ylbenzonitrile;5-fluoro-2-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;2-propan-2-ylpyridine;1-propan-2-yl-2-(trifluoromethoxy)benzene (CID 158887047) is 3-chloro-2-propan-2-ylpyridine;1-(difluoromethoxy)-2-propan-2-ylbenzene;3,5-difluoro-2-propan-2-ylbenzonitrile;5-fluoro-2-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;2-propan-2-ylpyridine;1-propan-2-yl-2-(trifluoromethoxy)benzene.
What is the SMILES notation for 3-chloro-2-propan-2-ylpyridine;1-(difluoromethoxy)-2-propan-2-ylbenzene;3,5-difluoro-2-propan-2-ylbenzonitrile;5-fluoro-2-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;2-propan-2-ylpyridine;1-propan-2-yl-2-(trifluoromethoxy)benzene?
The canonical SMILES for 3-chloro-2-propan-2-ylpyridine;1-(difluoromethoxy)-2-propan-2-ylbenzene;3,5-difluoro-2-propan-2-ylbenzonitrile;5-fluoro-2-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;2-propan-2-ylpyridine;1-propan-2-yl-2-(trifluoromethoxy)benzene is CC(C)c1c(F)cc(F)cc1C#N.CC(C)c1ccc(F)cn1.CC(C)c1ccccc1OC(F)(F)F.CC(C)c1ccccc1OC(F)F.CC(C)c1ccccn1.CC(C)c1ncccc1Cl.COc1ccccc1C(C)C.Cc1cccc(C(C)C)c1.Cc1ccccc1C(C)C.
What is the InChIKey of 3-chloro-2-propan-2-ylpyridine;1-(difluoromethoxy)-2-propan-2-ylbenzene;3,5-difluoro-2-propan-2-ylbenzonitrile;5-fluoro-2-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;2-propan-2-ylpyridine;1-propan-2-yl-2-(trifluoromethoxy)benzene?
The InChIKey is JDTIYOOPRCJWMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3O.C10H9F2N.C10H12F2O.C10H14O.2C10H14.C8H10ClN.C8H10FN.C8H11N/c1-7(2)8-5-3-4-6-9(8)14-10(11,12)13;1-6(2)10-7(5-13)3-8(11)4-9(10)12;1-7(2)8-5-3-4-6-9(8)13-10(11)12;1-8(2)9-6-4-5-7-10(9)11-3;1-8(2)10-6-4-5-9(3)7-10;1-8(2)10-7-5-4-6-9(10)3;1-6(2)8-7(9)4-3-5-10-8;1-6(2)8-4-3-7(9)5-10-8;1-7(2)8-5-3-4-6-9-8/h3-7H,1-2H3;3-4,6H,1-2H3;3-7,10H,1-2H3;4-8H,1-3H3;2*4-8H,1-3H3;2*3-6H,1-2H3;3-7H,1-2H3.
What are the key properties of 3-chloro-2-propan-2-ylpyridine;1-(difluoromethoxy)-2-propan-2-ylbenzene;3,5-difluoro-2-propan-2-ylbenzonitrile;5-fluoro-2-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;2-propan-2-ylpyridine;1-propan-2-yl-2-(trifluoromethoxy)benzene?
3-chloro-2-propan-2-ylpyridine;1-(difluoromethoxy)-2-propan-2-ylbenzene;3,5-difluoro-2-propan-2-ylbenzonitrile;5-fluoro-2-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;2-propan-2-ylpyridine;1-propan-2-yl-2-(trifluoromethoxy)benzene has a molecular weight of 1406.23 g/mol, XLogP of 26.54, 13 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-propan-2-ylpyridine;1-(difluoromethoxy)-2-propan-2-ylbenzene;3,5-difluoro-2-propan-2-ylbenzonitrile;5-fluoro-2-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;2-propan-2-ylpyridine;1-propan-2-yl-2-(trifluoromethoxy)benzene is sourced from PubChem (CID 158887047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).