(2Z,4E)-N-[(4,6-dichloro-3-pyridinyl)methyl]-1,3-difluoro-4,6-dimethoxyhepta-2,4,6-trien-2-amine

C15H16Cl2F2N2O2 — CID 146428416

IUPAC(2Z,4E)-N-[(4,6-dichloro-3-pyridinyl)methyl]-1,3-difluoro-4,6-dimethoxyhepta-2,4,6-trien-2-amine
SMILESC=C(/C=C(OC)\C(F)=C(/CF)NCc1cnc(Cl)cc1Cl)OC
InChIInChI=1S/C15H16Cl2F2N2O2/c1-9(22-2)4-13(23-3)15(19)12(6-18)20-7-10-8-21-14(17)5-11(10)16/h4-5,8,20H,1,6-7H2,2-3H3/b13-4+,15-12-
InChIKeyBCLWTKASPPCBDJ-IRTWEBFWSA-N
MW365.21 g/mol
LogP4.32
Rot. Bonds8

About (2Z,4E)-N-[(4,6-dichloro-3-pyridinyl)methyl]-1,3-difluoro-4,6-dimethoxyhepta-2,4,6-trien-2-amine

(2Z,4E)-N-[(4,6-dichloro-3-pyridinyl)methyl]-1,3-difluoro-4,6-dimethoxyhepta-2,4,6-trien-2-amine (PubChem CID 146428416) has the molecular formula C15H16Cl2F2N2O2 and a molecular weight of 365.21 g/mol. Its IUPAC name is (2Z,4E)-N-[(4,6-dichloro-3-pyridinyl)methyl]-1,3-difluoro-4,6-dimethoxyhepta-2,4,6-trien-2-amine.

Molecular Properties

Compound Name(2Z,4E)-N-[(4,6-dichloro-3-pyridinyl)methyl]-1,3-difluoro-4,6-dimethoxyhepta-2,4,6-trien-2-amine
PubChem CID146428416
Molecular FormulaC15H16Cl2F2N2O2
Molecular Weight365.21 g/mol
Exact Mass364.06
IUPAC Name(2Z,4E)-N-[(4,6-dichloro-3-pyridinyl)methyl]-1,3-difluoro-4,6-dimethoxyhepta-2,4,6-trien-2-amine
SMILESC=C(/C=C(OC)\C(F)=C(/CF)NCc1cnc(Cl)cc1Cl)OC
InChIInChI=1S/C15H16Cl2F2N2O2/c1-9(22-2)4-13(23-3)15(19)12(6-18)20-7-10-8-21-14(17)5-11(10)16/h4-5,8,20H,1,6-7H2,2-3H3/b13-4+,15-12-
InChIKeyBCLWTKASPPCBDJ-IRTWEBFWSA-N
XLogP4.32
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.21
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

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CID 170913665
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CID 86591124
[3-[(2-Chloro-5-fluoro-4-pyridinyl)amino]-6-methoxycyclohexa-2,4-dien-1-ylidene]methanol
CID 87138211
N-[(6-chloro-3-pyridinyl)methyl]-N-(2-fluoroethyl)-5-methylidene-2H-furan-3-amine
CID 89862877
N-[(6-chloropyridin-3-yl)methyl]-N-(2,2-difluoroethyl)-5-methylidene-2H-furan-3-amine
CID 90180667
N-[(6-chloro-3-pyridinyl)methyl]-2-fluoropropan-1-amine
CID 90321062
methyl (E)-3-[(6-chloro-3-pyridinyl)methyl-(2,2-difluoroethyl)amino]but-2-enoate
CID 117665449
2-chloro-N-(2-methoxyethyl)-5-(trifluoromethyl)pyridin-4-amine
CID 118036483
2-chloro-5-methyl-N-(1,1,1-trifluoropropan-2-yl)pyridin-4-amine
CID 118669419
(1Z,3Z)-5-N-[[2-chloro-4-(cyclopropylidenemethyl)-3-pyridinyl]methyl]-5-N-methyl-4-[1-(2,2,2-trifluoroethoxy)ethyl]hexa-1,3-diene-1,5-diamine
CID 130389397
2-Chloro-3-[[6-(2,2-difluoroethoxy)-5-methyl-1,2-dihydropyrazin-3-yl]methyliminomethyl]pyridin-4-amine
CID 132195334
N-[[4-chloro-6-(trifluoromethyl)pyridin-3-yl]methyl]-2-cyclopropyloxyethanamine
CID 142476085

Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-N-[(4,6-dichloro-3-pyridinyl)methyl]-1,3-difluoro-4,6-dimethoxyhepta-2,4,6-trien-2-amine?
The IUPAC name of (2Z,4E)-N-[(4,6-dichloro-3-pyridinyl)methyl]-1,3-difluoro-4,6-dimethoxyhepta-2,4,6-trien-2-amine (CID 146428416) is (2Z,4E)-N-[(4,6-dichloro-3-pyridinyl)methyl]-1,3-difluoro-4,6-dimethoxyhepta-2,4,6-trien-2-amine.
What is the SMILES notation for (2Z,4E)-N-[(4,6-dichloro-3-pyridinyl)methyl]-1,3-difluoro-4,6-dimethoxyhepta-2,4,6-trien-2-amine?
The canonical SMILES for (2Z,4E)-N-[(4,6-dichloro-3-pyridinyl)methyl]-1,3-difluoro-4,6-dimethoxyhepta-2,4,6-trien-2-amine is C=C(/C=C(OC)\C(F)=C(/CF)NCc1cnc(Cl)cc1Cl)OC.
What is the InChIKey of (2Z,4E)-N-[(4,6-dichloro-3-pyridinyl)methyl]-1,3-difluoro-4,6-dimethoxyhepta-2,4,6-trien-2-amine?
The InChIKey is BCLWTKASPPCBDJ-IRTWEBFWSA-N. The full InChI is InChI=1S/C15H16Cl2F2N2O2/c1-9(22-2)4-13(23-3)15(19)12(6-18)20-7-10-8-21-14(17)5-11(10)16/h4-5,8,20H,1,6-7H2,2-3H3/b13-4+,15-12-.
What are the key properties of (2Z,4E)-N-[(4,6-dichloro-3-pyridinyl)methyl]-1,3-difluoro-4,6-dimethoxyhepta-2,4,6-trien-2-amine?
(2Z,4E)-N-[(4,6-dichloro-3-pyridinyl)methyl]-1,3-difluoro-4,6-dimethoxyhepta-2,4,6-trien-2-amine has a molecular weight of 365.21 g/mol, XLogP of 4.32, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-N-[(4,6-dichloro-3-pyridinyl)methyl]-1,3-difluoro-4,6-dimethoxyhepta-2,4,6-trien-2-amine is sourced from PubChem (CID 146428416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).