5-[2-chloro-5-(trifluoromethyl)phenyl]-N-[(2-fluorophenyl)methyl]pyridin-2-amine;1-[5-[2-chloro-5-(trifluoromethyl)phenyl]-2-pyridinyl]pentan-1-amine;methane

C38H39Cl2F7N4 — CID 159432619

IUPAC5-[2-chloro-5-(trifluoromethyl)phenyl]-N-[(2-fluorophenyl)methyl]pyridin-2-amine;1-[5-[2-chloro-5-(trifluoromethyl)phenyl]-2-pyridinyl]pentan-1-amine;methane
SMILESC.C.CCCCC(N)c1ccc(-c2cc(C(F)(F)F)ccc2Cl)cn1.Fc1ccccc1CNc1ccc(-c2cc(C(F)(F)F)ccc2Cl)cn1
InChIInChI=1S/C19H13ClF4N2.C17H18ClF3N2.2CH4/c20-16-7-6-14(19(22,23)24)9-15(16)12-5-8-18(25-10-12)26-11-13-3-1-2-4-17(13)21;1-2-3-4-15(22)16-8-5-11(10-23-16)13-9-12(17(19,20)21)6-7-14(13)18;;/h1-10H,11H2,(H,25,26);5-10,15H,2-4,22H2,1H3;2*1H4
InChIKeyLREFVYMMFSXJRT-UHFFFAOYSA-N
MW755.65 g/mol
LogP13.06
Rot. Bonds9

About 5-[2-chloro-5-(trifluoromethyl)phenyl]-N-[(2-fluorophenyl)methyl]pyridin-2-amine;1-[5-[2-chloro-5-(trifluoromethyl)phenyl]-2-pyridinyl]pentan-1-amine;methane

5-[2-chloro-5-(trifluoromethyl)phenyl]-N-[(2-fluorophenyl)methyl]pyridin-2-amine;1-[5-[2-chloro-5-(trifluoromethyl)phenyl]-2-pyridinyl]pentan-1-amine;methane (PubChem CID 159432619) has the molecular formula C38H39Cl2F7N4 and a molecular weight of 755.65 g/mol. Its IUPAC name is 5-[2-chloro-5-(trifluoromethyl)phenyl]-N-[(2-fluorophenyl)methyl]pyridin-2-amine;1-[5-[2-chloro-5-(trifluoromethyl)phenyl]-2-pyridinyl]pentan-1-amine;methane.

Molecular Properties

Compound Name5-[2-chloro-5-(trifluoromethyl)phenyl]-N-[(2-fluorophenyl)methyl]pyridin-2-amine;1-[5-[2-chloro-5-(trifluoromethyl)phenyl]-2-pyridinyl]pentan-1-amine;methane
PubChem CID159432619
Molecular FormulaC38H39Cl2F7N4
Molecular Weight755.65 g/mol
Exact Mass754.24
IUPAC Name5-[2-chloro-5-(trifluoromethyl)phenyl]-N-[(2-fluorophenyl)methyl]pyridin-2-amine;1-[5-[2-chloro-5-(trifluoromethyl)phenyl]-2-pyridinyl]pentan-1-amine;methane
SMILESC.C.CCCCC(N)c1ccc(-c2cc(C(F)(F)F)ccc2Cl)cn1.Fc1ccccc1CNc1ccc(-c2cc(C(F)(F)F)ccc2Cl)cn1
InChIInChI=1S/C19H13ClF4N2.C17H18ClF3N2.2CH4/c20-16-7-6-14(19(22,23)24)9-15(16)12-5-8-18(25-10-12)26-11-13-3-1-2-4-17(13)21;1-2-3-4-15(22)16-8-5-11(10-23-16)13-9-12(17(19,20)21)6-7-14(13)18;;/h1-10H,11H2,(H,25,26);5-10,15H,2-4,22H2,1H3;2*1H4
InChIKeyLREFVYMMFSXJRT-UHFFFAOYSA-N
XLogP13.06
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500755.65
LogP ≤ 513.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[(2,4-dichlorophenyl)methyl]-2-N-methyl-6-pyridin-2-ylpyrimidine-2,4-diamine
CID 86277841
Cdk9-IN-2
CID 49855228
(1r)-N~2~-[5-Chloro-2-(5-Chloropyridin-2-Yl)-6-Methylpyrimidin-4-Yl]-1-Phenyl-N~1~-(4-Phenylbutyl)ethane-1,2-Diamine
CID 71602590
4-N-[(4-chlorophenyl)methyl]-6-pyridin-2-yl-2-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine
CID 118716413
(S)-6-chloro-2-(pyridin-2-yl)-5-(2,4,6-trifluorophenyl)-N-(1,1,1-trifluoropropan-2-yl)pyrimidin-4-amine
CID 11293409
6-Chloro-2-(pyridin-2-yl)-N-(2,2,2-trifluoroethyl)-5-(2,4,6-trifluorophenyl)-pyrimidin-4-amine
CID 11362109
1-N-[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]-4-N,4-N-dimethylcyclohexane-1,4-diamine
CID 50906614
4-N-[5-chloro-4-[6-[(3-fluorophenyl)methylamino]pyrazin-2-yl]-2-pyridinyl]cyclohexane-1,4-diamine
CID 50907432
5'-chloro-N6-(3-fluorobenzyl)-N2'-((1R,3S)-3-((methylamino)methyl)cyclopentyl)-2,4'-bipyridine-2',6-diamine
CID 50907863
N2'-(trans-4-aminocyclohexyl)-5'-chloro-N6-(3,5-difluorobenzyl)-2,4'-bipyridine-2',6-diamine
CID 50908321
4-N-[5-chloro-4-[6-[(5-fluoro-3-pyridinyl)methylamino]-2-pyridinyl]-2-pyridinyl]cyclohexane-1,4-diamine
CID 50908322
N2'-((1R,3R)-3-aminocyclopentyl)-5'-chloro-N6-(3-fluorobenzyl)-2,4'-bipyridine-2',6-diamine
CID 58127237

Frequently Asked Questions

What is the IUPAC name of 5-[2-chloro-5-(trifluoromethyl)phenyl]-N-[(2-fluorophenyl)methyl]pyridin-2-amine;1-[5-[2-chloro-5-(trifluoromethyl)phenyl]-2-pyridinyl]pentan-1-amine;methane?
The IUPAC name of 5-[2-chloro-5-(trifluoromethyl)phenyl]-N-[(2-fluorophenyl)methyl]pyridin-2-amine;1-[5-[2-chloro-5-(trifluoromethyl)phenyl]-2-pyridinyl]pentan-1-amine;methane (CID 159432619) is 5-[2-chloro-5-(trifluoromethyl)phenyl]-N-[(2-fluorophenyl)methyl]pyridin-2-amine;1-[5-[2-chloro-5-(trifluoromethyl)phenyl]-2-pyridinyl]pentan-1-amine;methane.
What is the SMILES notation for 5-[2-chloro-5-(trifluoromethyl)phenyl]-N-[(2-fluorophenyl)methyl]pyridin-2-amine;1-[5-[2-chloro-5-(trifluoromethyl)phenyl]-2-pyridinyl]pentan-1-amine;methane?
The canonical SMILES for 5-[2-chloro-5-(trifluoromethyl)phenyl]-N-[(2-fluorophenyl)methyl]pyridin-2-amine;1-[5-[2-chloro-5-(trifluoromethyl)phenyl]-2-pyridinyl]pentan-1-amine;methane is C.C.CCCCC(N)c1ccc(-c2cc(C(F)(F)F)ccc2Cl)cn1.Fc1ccccc1CNc1ccc(-c2cc(C(F)(F)F)ccc2Cl)cn1.
What is the InChIKey of 5-[2-chloro-5-(trifluoromethyl)phenyl]-N-[(2-fluorophenyl)methyl]pyridin-2-amine;1-[5-[2-chloro-5-(trifluoromethyl)phenyl]-2-pyridinyl]pentan-1-amine;methane?
The InChIKey is LREFVYMMFSXJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClF4N2.C17H18ClF3N2.2CH4/c20-16-7-6-14(19(22,23)24)9-15(16)12-5-8-18(25-10-12)26-11-13-3-1-2-4-17(13)21;1-2-3-4-15(22)16-8-5-11(10-23-16)13-9-12(17(19,20)21)6-7-14(13)18;;/h1-10H,11H2,(H,25,26);5-10,15H,2-4,22H2,1H3;2*1H4.
What are the key properties of 5-[2-chloro-5-(trifluoromethyl)phenyl]-N-[(2-fluorophenyl)methyl]pyridin-2-amine;1-[5-[2-chloro-5-(trifluoromethyl)phenyl]-2-pyridinyl]pentan-1-amine;methane?
5-[2-chloro-5-(trifluoromethyl)phenyl]-N-[(2-fluorophenyl)methyl]pyridin-2-amine;1-[5-[2-chloro-5-(trifluoromethyl)phenyl]-2-pyridinyl]pentan-1-amine;methane has a molecular weight of 755.65 g/mol, XLogP of 13.06, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-chloro-5-(trifluoromethyl)phenyl]-N-[(2-fluorophenyl)methyl]pyridin-2-amine;1-[5-[2-chloro-5-(trifluoromethyl)phenyl]-2-pyridinyl]pentan-1-amine;methane is sourced from PubChem (CID 159432619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).