2-chloropyridine;3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propan-1-amine;N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]pyridin-2-amine

C56H45ClF12N4O4 — CID 161062872

IUPAC2-chloropyridine;3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propan-1-amine;N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]pyridin-2-amine
SMILESClc1ccccn1.FC(F)(F)Oc1cccc(C(CNc2ccccn2)(Cc2ccccc2)c2cccc(OC(F)(F)F)c2)c1.NCC(Cc1ccccc1)(c1cccc(OC(F)(F)F)c1)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C28H22F6N2O2.C23H19F6NO2.C5H4ClN/c29-27(30,31)37-23-12-6-10-21(16-23)26(18-20-8-2-1-3-9-20,19-36-25-14-4-5-15-35-25)22-11-7-13-24(17-22)38-28(32,33)34;24-22(25,26)31-19-10-4-8-17(12-19)21(15-30,14-16-6-2-1-3-7-16)18-9-5-11-20(13-18)32-23(27,28)29;6-5-3-1-2-4-7-5/h1-17H,18-19H2,(H,35,36);1-13H,14-15,30H2;1-4H
InChIKeyUDPWBSFJANNWBP-UHFFFAOYSA-N
MW1101.43 g/mol
LogP15.23
Rot. Bonds16

About 2-chloropyridine;3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propan-1-amine;N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]pyridin-2-amine

2-chloropyridine;3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propan-1-amine;N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]pyridin-2-amine (PubChem CID 161062872) has the molecular formula C56H45ClF12N4O4 and a molecular weight of 1101.43 g/mol. Its IUPAC name is 2-chloropyridine;3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propan-1-amine;N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]pyridin-2-amine.

Molecular Properties

Compound Name2-chloropyridine;3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propan-1-amine;N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]pyridin-2-amine
PubChem CID161062872
Molecular FormulaC56H45ClF12N4O4
Molecular Weight1101.43 g/mol
Exact Mass1100.29
IUPAC Name2-chloropyridine;3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propan-1-amine;N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]pyridin-2-amine
SMILESClc1ccccn1.FC(F)(F)Oc1cccc(C(CNc2ccccn2)(Cc2ccccc2)c2cccc(OC(F)(F)F)c2)c1.NCC(Cc1ccccc1)(c1cccc(OC(F)(F)F)c1)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C28H22F6N2O2.C23H19F6NO2.C5H4ClN/c29-27(30,31)37-23-12-6-10-21(16-23)26(18-20-8-2-1-3-9-20,19-36-25-14-4-5-15-35-25)22-11-7-13-24(17-22)38-28(32,33)34;24-22(25,26)31-19-10-4-8-17(12-19)21(15-30,14-16-6-2-1-3-7-16)18-9-5-11-20(13-18)32-23(27,28)29;6-5-3-1-2-4-7-5/h1-17H,18-19H2,(H,35,36);1-13H,14-15,30H2;1-4H
InChIKeyUDPWBSFJANNWBP-UHFFFAOYSA-N
XLogP15.23
TPSA100.75 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001101.43
LogP ≤ 515.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

4-N-[5-chloro-4-[6-[[3-(trifluoromethoxy)phenyl]methylamino]pyridin-2-yl]pyridin-2-yl]cyclohexane-1,4-diamine
CID 68405068
4-N-[5-chloro-4-[6-[(3-methoxyphenyl)methylamino]-2-pyridinyl]-2-pyridinyl]cyclohexane-1,4-diamine
CID 68405073
N-[4-(aminomethyl)cyclohexyl]-5-chloro-4-[6-[[3-(difluoromethoxy)phenyl]methylamino]pyridin-2-yl]pyridin-2-amine
CID 68405504
4-N-[5-chloro-4-[6-[[4-(trifluoromethoxy)phenyl]methylamino]pyridin-2-yl]pyridin-2-yl]cyclohexane-1,4-diamine
CID 68405528
4-N-[5-chloro-4-[6-[[4-(difluoromethoxy)phenyl]methylamino]pyridin-2-yl]pyridin-2-yl]cyclohexane-1,4-diamine
CID 68405530
4-N-[5-chloro-4-[6-[[3-(difluoromethoxy)phenyl]methylamino]pyridin-2-yl]pyridin-2-yl]cyclohexane-1,4-diamine
CID 70793961
3-Chloro-N-({2-[3-(trifluoromethyl)phenoxy]pyridin-3-YL}methyl)pyridin-2-amine
CID 56739499
N-[(1S)-5-[3-chloro-2-[3-methoxy-4-(methylaminomethyl)phenyl]-4-pyridinyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-6-methoxy-5-(methylaminomethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 170696784
4-{2-[3,4-Bis(difluoromethoxy)phenyl]-2-[6-(benzylamino)3-pyridyl]ethyl}pyridine
CID 9870470
6-[2-[[4-(aminomethyl)cyclohexyl]methyl]-5-chloro-4-pyridinyl]-N-[[3-(difluoromethoxy)phenyl]methyl]pyridin-2-amine
CID 58127079
6-[2-[(4-aminocyclohexyl)methyl]-5-chloro-4-pyridinyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]pyridin-2-amine
CID 58127217
6-[2-[(4-aminocyclohexyl)methyl]-5-chloro-4-pyridinyl]-N-[[3-(difluoromethoxy)phenyl]methyl]pyridin-2-amine
CID 58127265

Frequently Asked Questions

What is the IUPAC name of 2-chloropyridine;3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propan-1-amine;N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]pyridin-2-amine?
The IUPAC name of 2-chloropyridine;3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propan-1-amine;N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]pyridin-2-amine (CID 161062872) is 2-chloropyridine;3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propan-1-amine;N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]pyridin-2-amine.
What is the SMILES notation for 2-chloropyridine;3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propan-1-amine;N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]pyridin-2-amine?
The canonical SMILES for 2-chloropyridine;3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propan-1-amine;N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]pyridin-2-amine is Clc1ccccn1.FC(F)(F)Oc1cccc(C(CNc2ccccn2)(Cc2ccccc2)c2cccc(OC(F)(F)F)c2)c1.NCC(Cc1ccccc1)(c1cccc(OC(F)(F)F)c1)c1cccc(OC(F)(F)F)c1.
What is the InChIKey of 2-chloropyridine;3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propan-1-amine;N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]pyridin-2-amine?
The InChIKey is UDPWBSFJANNWBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22F6N2O2.C23H19F6NO2.C5H4ClN/c29-27(30,31)37-23-12-6-10-21(16-23)26(18-20-8-2-1-3-9-20,19-36-25-14-4-5-15-35-25)22-11-7-13-24(17-22)38-28(32,33)34;24-22(25,26)31-19-10-4-8-17(12-19)21(15-30,14-16-6-2-1-3-7-16)18-9-5-11-20(13-18)32-23(27,28)29;6-5-3-1-2-4-7-5/h1-17H,18-19H2,(H,35,36);1-13H,14-15,30H2;1-4H.
What are the key properties of 2-chloropyridine;3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propan-1-amine;N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]pyridin-2-amine?
2-chloropyridine;3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propan-1-amine;N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]pyridin-2-amine has a molecular weight of 1101.43 g/mol, XLogP of 15.23, 16 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloropyridine;3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propan-1-amine;N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]pyridin-2-amine is sourced from PubChem (CID 161062872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).