3-chloro-N-[(E)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-5-(trifluoromethyl)pyridin-2-amine

C15H10ClF3N4O2 — CID 6902838

IUPAC3-chloro-N-[(E)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-5-(trifluoromethyl)pyridin-2-amine
SMILESO=[N+]([O-])c1ccccc1/C=C/C=N/Nc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C15H10ClF3N4O2/c16-12-8-11(15(17,18)19)9-20-14(12)22-21-7-3-5-10-4-1-2-6-13(10)23(24)25/h1-9H,(H,20,22)/b5-3+,21-7+
InChIKeyPTJBMTXSCNGMKM-JAZWXOFISA-N
MW370.72 g/mol
LogP4.77
Rot. Bonds5

About 3-chloro-N-[(E)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-5-(trifluoromethyl)pyridin-2-amine

3-chloro-N-[(E)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 6902838) has the molecular formula C15H10ClF3N4O2 and a molecular weight of 370.72 g/mol. Its IUPAC name is 3-chloro-N-[(E)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-N-[(E)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-5-(trifluoromethyl)pyridin-2-amine
PubChem CID6902838
Molecular FormulaC15H10ClF3N4O2
Molecular Weight370.72 g/mol
Exact Mass370.04
IUPAC Name3-chloro-N-[(E)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-5-(trifluoromethyl)pyridin-2-amine
SMILESO=[N+]([O-])c1ccccc1/C=C/C=N/Nc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C15H10ClF3N4O2/c16-12-8-11(15(17,18)19)9-20-14(12)22-21-7-3-5-10-4-1-2-6-13(10)23(24)25/h1-9H,(H,20,22)/b5-3+,21-7+
InChIKeyPTJBMTXSCNGMKM-JAZWXOFISA-N
XLogP4.77
TPSA80.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.72
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3,5-dichloro-N-[(E)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]pyridin-2-amine
CID 6892976
N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-5-(trifluoromethyl)pyridin-2-amine
CID 7933225
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(2-nitrophenyl)hydrazine
CID 141438327
N-[(E)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-2-(trifluoromethyl)aniline
CID 6892921
2,3,4,5,6-pentafluoro-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]aniline
CID 9466475
3-chloro-N-[(Z)-(2-ethoxyphenyl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 9216990
3-(2-nitrophenyl)-N-[3-(2-nitrophenyl)prop-2-enylideneamino]prop-2-en-1-imine
CID 4665830
N-[(Z)-[(Z)-3-(2-nitrophenyl)prop-2-enylidene]amino]pyrazine-2-carboxamide
CID 6506022
3-[(E)-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]-2-benzofuran-1-ol
CID 135778423
(Z,4Z)-2,3-dichloro-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]but-2-enoic acid
CID 6505731
1-[(E)-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]naphthalen-2-ol
CID 135614773
1-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]naphthalen-2-ol
CID 4026008

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(E)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 3-chloro-N-[(E)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-5-(trifluoromethyl)pyridin-2-amine (CID 6902838) is 3-chloro-N-[(E)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 3-chloro-N-[(E)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 3-chloro-N-[(E)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-5-(trifluoromethyl)pyridin-2-amine is O=[N+]([O-])c1ccccc1/C=C/C=N/Nc1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 3-chloro-N-[(E)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is PTJBMTXSCNGMKM-JAZWXOFISA-N. The full InChI is InChI=1S/C15H10ClF3N4O2/c16-12-8-11(15(17,18)19)9-20-14(12)22-21-7-3-5-10-4-1-2-6-13(10)23(24)25/h1-9H,(H,20,22)/b5-3+,21-7+.
What are the key properties of 3-chloro-N-[(E)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-5-(trifluoromethyl)pyridin-2-amine?
3-chloro-N-[(E)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 370.72 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(E)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 6902838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).