2-chloro-6-(4,4-difluoropiperidin-1-yl)-4-methylpyridine;2,6-dichloro-4-methylpyridine;4,4-difluoropiperidine;1-ethyl-4-methoxybenzene;hydrochloride

C31H40Cl4F4N4O — CID 163598203

IUPAC2-chloro-6-(4,4-difluoropiperidin-1-yl)-4-methylpyridine;2,6-dichloro-4-methylpyridine;4,4-difluoropiperidine;1-ethyl-4-methoxybenzene;hydrochloride
SMILESCCc1ccc(OC)cc1.Cc1cc(Cl)nc(Cl)c1.Cc1cc(Cl)nc(N2CCC(F)(F)CC2)c1.Cl.FC1(F)CCNCC1
InChIInChI=1S/C11H13ClF2N2.C9H12O.C6H5Cl2N.C5H9F2N.ClH/c1-8-6-9(12)15-10(7-8)16-4-2-11(13,14)3-5-16;1-3-8-4-6-9(10-2)7-5-8;1-4-2-5(7)9-6(8)3-4;6-5(7)1-3-8-4-2-5;/h6-7H,2-5H2,1H3;4-7H,3H2,1-2H3;2-3H,1H3;8H,1-4H2;1H
InChIKeyIADHBPPTRPCBQE-UHFFFAOYSA-N
MW702.49 g/mol
LogP9.66
Rot. Bonds3

About 2-chloro-6-(4,4-difluoropiperidin-1-yl)-4-methylpyridine;2,6-dichloro-4-methylpyridine;4,4-difluoropiperidine;1-ethyl-4-methoxybenzene;hydrochloride

2-chloro-6-(4,4-difluoropiperidin-1-yl)-4-methylpyridine;2,6-dichloro-4-methylpyridine;4,4-difluoropiperidine;1-ethyl-4-methoxybenzene;hydrochloride (PubChem CID 163598203) has the molecular formula C31H40Cl4F4N4O and a molecular weight of 702.49 g/mol. Its IUPAC name is 2-chloro-6-(4,4-difluoropiperidin-1-yl)-4-methylpyridine;2,6-dichloro-4-methylpyridine;4,4-difluoropiperidine;1-ethyl-4-methoxybenzene;hydrochloride.

Molecular Properties

Compound Name2-chloro-6-(4,4-difluoropiperidin-1-yl)-4-methylpyridine;2,6-dichloro-4-methylpyridine;4,4-difluoropiperidine;1-ethyl-4-methoxybenzene;hydrochloride
PubChem CID163598203
Molecular FormulaC31H40Cl4F4N4O
Molecular Weight702.49 g/mol
Exact Mass700.19
IUPAC Name2-chloro-6-(4,4-difluoropiperidin-1-yl)-4-methylpyridine;2,6-dichloro-4-methylpyridine;4,4-difluoropiperidine;1-ethyl-4-methoxybenzene;hydrochloride
SMILESCCc1ccc(OC)cc1.Cc1cc(Cl)nc(Cl)c1.Cc1cc(Cl)nc(N2CCC(F)(F)CC2)c1.Cl.FC1(F)CCNCC1
InChIInChI=1S/C11H13ClF2N2.C9H12O.C6H5Cl2N.C5H9F2N.ClH/c1-8-6-9(12)15-10(7-8)16-4-2-11(13,14)3-5-16;1-3-8-4-6-9(10-2)7-5-8;1-4-2-5(7)9-6(8)3-4;6-5(7)1-3-8-4-2-5;/h6-7H,2-5H2,1H3;4-7H,3H2,1-2H3;2-3H,1H3;8H,1-4H2;1H
InChIKeyIADHBPPTRPCBQE-UHFFFAOYSA-N
XLogP9.66
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500702.49
LogP ≤ 59.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-chloro-6-(4,4-difluoropiperidin-1-yl)-4-methylpyridine;2,6-dichloro-4-methylpyridine;4,4-difluoropiperidine;1-ethyl-4-methoxybenzene;hydrochloride 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

4-N-[5-chloro-4-[6-[[4-(difluoromethoxy)phenyl]methylamino]pyridin-2-yl]pyridin-2-yl]cyclohexane-1,4-diamine
CID 68405530
1-[6-Chloro-4-[4-(trifluoromethoxy)phenyl]pyridin-2-yl]-4-methylpiperazine
CID 11595861
(2S)-4-[3-chloro-5-(4,5-dihydro-1H-imidazol-2-yl)pyridin-2-yl]-2-ethyl-1-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]piperazine
CID 59772533
4-N-[5-chloro-4-[2-[[4-(trifluoromethoxy)phenyl]methylamino]pyridin-4-yl]pyridin-2-yl]cyclohexane-1,4-diamine
CID 60142805
4-N-[5-chloro-4-[2-[[4-(difluoromethoxy)phenyl]methylamino]pyridin-4-yl]pyridin-2-yl]cyclohexane-1,4-diamine
CID 68276102
N,N-Bis-(4-methoxybenzyl)-(6-chloro-5-trifluoromethylpyridine-2-yl)amine
CID 86605106
(6-Chloro-4-trifluoromethyl-pyridin-2-yl)-(4-methoxy-benzyl)-amine
CID 86657407
6-chloro-N-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyridin-2-amine
CID 87386482
2-chloro-N-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-6-[[4-(trifluoromethoxy)phenyl]methyldiazenyl]pyrimidin-4-amine
CID 91084816
2-chloro-N-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-6-[[4-(1,1,2,2-tetrafluoroethoxy)phenyl]methyldiazenyl]pyrimidin-4-amine
CID 91429973
5-chloro-N-cyclohexyl-4-[6-[[4-(difluoromethoxy)phenyl]methylamino]pyridin-2-yl]pyridin-2-amine
CID 117969840
5-chloro-N-cyclohexyl-4-[6-[[4-(trifluoromethoxy)phenyl]methylamino]pyridin-2-yl]pyridin-2-amine
CID 123861243

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(4,4-difluoropiperidin-1-yl)-4-methylpyridine;2,6-dichloro-4-methylpyridine;4,4-difluoropiperidine;1-ethyl-4-methoxybenzene;hydrochloride?
The IUPAC name of 2-chloro-6-(4,4-difluoropiperidin-1-yl)-4-methylpyridine;2,6-dichloro-4-methylpyridine;4,4-difluoropiperidine;1-ethyl-4-methoxybenzene;hydrochloride (CID 163598203) is 2-chloro-6-(4,4-difluoropiperidin-1-yl)-4-methylpyridine;2,6-dichloro-4-methylpyridine;4,4-difluoropiperidine;1-ethyl-4-methoxybenzene;hydrochloride.
What is the SMILES notation for 2-chloro-6-(4,4-difluoropiperidin-1-yl)-4-methylpyridine;2,6-dichloro-4-methylpyridine;4,4-difluoropiperidine;1-ethyl-4-methoxybenzene;hydrochloride?
The canonical SMILES for 2-chloro-6-(4,4-difluoropiperidin-1-yl)-4-methylpyridine;2,6-dichloro-4-methylpyridine;4,4-difluoropiperidine;1-ethyl-4-methoxybenzene;hydrochloride is CCc1ccc(OC)cc1.Cc1cc(Cl)nc(Cl)c1.Cc1cc(Cl)nc(N2CCC(F)(F)CC2)c1.Cl.FC1(F)CCNCC1.
What is the InChIKey of 2-chloro-6-(4,4-difluoropiperidin-1-yl)-4-methylpyridine;2,6-dichloro-4-methylpyridine;4,4-difluoropiperidine;1-ethyl-4-methoxybenzene;hydrochloride?
The InChIKey is IADHBPPTRPCBQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClF2N2.C9H12O.C6H5Cl2N.C5H9F2N.ClH/c1-8-6-9(12)15-10(7-8)16-4-2-11(13,14)3-5-16;1-3-8-4-6-9(10-2)7-5-8;1-4-2-5(7)9-6(8)3-4;6-5(7)1-3-8-4-2-5;/h6-7H,2-5H2,1H3;4-7H,3H2,1-2H3;2-3H,1H3;8H,1-4H2;1H.
What are the key properties of 2-chloro-6-(4,4-difluoropiperidin-1-yl)-4-methylpyridine;2,6-dichloro-4-methylpyridine;4,4-difluoropiperidine;1-ethyl-4-methoxybenzene;hydrochloride?
2-chloro-6-(4,4-difluoropiperidin-1-yl)-4-methylpyridine;2,6-dichloro-4-methylpyridine;4,4-difluoropiperidine;1-ethyl-4-methoxybenzene;hydrochloride has a molecular weight of 702.49 g/mol, XLogP of 9.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(4,4-difluoropiperidin-1-yl)-4-methylpyridine;2,6-dichloro-4-methylpyridine;4,4-difluoropiperidine;1-ethyl-4-methoxybenzene;hydrochloride is sourced from PubChem (CID 163598203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).