3,5,6-trichloro-N-[(4-phenylmethoxyphenyl)methylideneamino]pyridin-2-amine

C19H14Cl3N3O — CID 5207019

IUPAC3,5,6-trichloro-N-[(4-phenylmethoxyphenyl)methylideneamino]pyridin-2-amine
SMILESClc1cc(Cl)c(NN=Cc2ccc(OCc3ccccc3)cc2)nc1Cl
InChIInChI=1S/C19H14Cl3N3O/c20-16-10-17(21)19(24-18(16)22)25-23-11-13-6-8-15(9-7-13)26-12-14-4-2-1-3-5-14/h1-11H,12H2,(H,24,25)
InChIKeyVCOLEUZBFLHWQF-UHFFFAOYSA-N
MW406.70 g/mol
LogP6.07
Rot. Bonds6

About 3,5,6-trichloro-N-[(4-phenylmethoxyphenyl)methylideneamino]pyridin-2-amine

3,5,6-trichloro-N-[(4-phenylmethoxyphenyl)methylideneamino]pyridin-2-amine (PubChem CID 5207019) has the molecular formula C19H14Cl3N3O and a molecular weight of 406.70 g/mol. Its IUPAC name is 3,5,6-trichloro-N-[(4-phenylmethoxyphenyl)methylideneamino]pyridin-2-amine.

Molecular Properties

Compound Name3,5,6-trichloro-N-[(4-phenylmethoxyphenyl)methylideneamino]pyridin-2-amine
PubChem CID5207019
Molecular FormulaC19H14Cl3N3O
Molecular Weight406.70 g/mol
Exact Mass405.02
IUPAC Name3,5,6-trichloro-N-[(4-phenylmethoxyphenyl)methylideneamino]pyridin-2-amine
SMILESClc1cc(Cl)c(NN=Cc2ccc(OCc3ccccc3)cc2)nc1Cl
InChIInChI=1S/C19H14Cl3N3O/c20-16-10-17(21)19(24-18(16)22)25-23-11-13-6-8-15(9-7-13)26-12-14-4-2-1-3-5-14/h1-11H,12H2,(H,24,25)
InChIKeyVCOLEUZBFLHWQF-UHFFFAOYSA-N
XLogP6.07
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.70
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]quinoxalin-2-amine
CID 56725881
N-[[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 169383078
N-[(E)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 96878825
N-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-1-phenylmethanamine
CID 110839719
N-[(4-phenylmethoxyphenyl)methylideneamino]-[1,2,4]triazolo[3,4-a]phthalazin-6-amine
CID 1416870
3,5,6-trichloro-N-[(3,5-dimethoxyphenyl)methylideneamino]pyridin-2-amine
CID 4237377
N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]formamide
CID 6901375
1-benzyl-3-[(E)-[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]thiourea
CID 110339669
2-N-[[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine
CID 3721350
N-[[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 132896537
N-[(Z)-[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 7230041
2-(4-phenylmethoxyphenoxy)-N-[(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 4259945

Frequently Asked Questions

What is the IUPAC name of 3,5,6-trichloro-N-[(4-phenylmethoxyphenyl)methylideneamino]pyridin-2-amine?
The IUPAC name of 3,5,6-trichloro-N-[(4-phenylmethoxyphenyl)methylideneamino]pyridin-2-amine (CID 5207019) is 3,5,6-trichloro-N-[(4-phenylmethoxyphenyl)methylideneamino]pyridin-2-amine.
What is the SMILES notation for 3,5,6-trichloro-N-[(4-phenylmethoxyphenyl)methylideneamino]pyridin-2-amine?
The canonical SMILES for 3,5,6-trichloro-N-[(4-phenylmethoxyphenyl)methylideneamino]pyridin-2-amine is Clc1cc(Cl)c(NN=Cc2ccc(OCc3ccccc3)cc2)nc1Cl.
What is the InChIKey of 3,5,6-trichloro-N-[(4-phenylmethoxyphenyl)methylideneamino]pyridin-2-amine?
The InChIKey is VCOLEUZBFLHWQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl3N3O/c20-16-10-17(21)19(24-18(16)22)25-23-11-13-6-8-15(9-7-13)26-12-14-4-2-1-3-5-14/h1-11H,12H2,(H,24,25).
What are the key properties of 3,5,6-trichloro-N-[(4-phenylmethoxyphenyl)methylideneamino]pyridin-2-amine?
3,5,6-trichloro-N-[(4-phenylmethoxyphenyl)methylideneamino]pyridin-2-amine has a molecular weight of 406.70 g/mol, XLogP of 6.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,6-trichloro-N-[(4-phenylmethoxyphenyl)methylideneamino]pyridin-2-amine is sourced from PubChem (CID 5207019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).