3,5-dichloro-N-[(E)-furan-2-ylmethylideneamino]pyridin-2-amine

C10H7Cl2N3O — CID 7256549

IUPAC3,5-dichloro-N-[(E)-furan-2-ylmethylideneamino]pyridin-2-amine
SMILESClc1cnc(N/N=C/c2ccco2)c(Cl)c1
InChIInChI=1S/C10H7Cl2N3O/c11-7-4-9(12)10(13-5-7)15-14-6-8-2-1-3-16-8/h1-6H,(H,13,15)/b14-6+
InChIKeyXURKYDOASRLXEE-MKMNVTDBSA-N
MW256.09 g/mol
LogP3.43
Rot. Bonds3

About 3,5-dichloro-N-[(E)-furan-2-ylmethylideneamino]pyridin-2-amine

3,5-dichloro-N-[(E)-furan-2-ylmethylideneamino]pyridin-2-amine (PubChem CID 7256549) has the molecular formula C10H7Cl2N3O and a molecular weight of 256.09 g/mol. Its IUPAC name is 3,5-dichloro-N-[(E)-furan-2-ylmethylideneamino]pyridin-2-amine.

Molecular Properties

Compound Name3,5-dichloro-N-[(E)-furan-2-ylmethylideneamino]pyridin-2-amine
PubChem CID7256549
Molecular FormulaC10H7Cl2N3O
Molecular Weight256.09 g/mol
Exact Mass255.00
IUPAC Name3,5-dichloro-N-[(E)-furan-2-ylmethylideneamino]pyridin-2-amine
SMILESClc1cnc(N/N=C/c2ccco2)c(Cl)c1
InChIInChI=1S/C10H7Cl2N3O/c11-7-4-9(12)10(13-5-7)15-14-6-8-2-1-3-16-8/h1-6H,(H,13,15)/b14-6+
InChIKeyXURKYDOASRLXEE-MKMNVTDBSA-N
XLogP3.43
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.09
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,5-dichloro-N-[1-(furan-2-yl)ethylideneamino]pyridin-2-amine
CID 4833509
4-[(E)-[(3,5-dichloro-2-pyridinyl)hydrazinylidene]methyl]benzene-1,3-diol
CID 135828372
3,5-dichloro-N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]pyridin-2-amine
CID 6217597
methyl 2-[(Z)-[(3,5-dichloro-2-pyridinyl)hydrazinylidene]methyl]benzoate
CID 8980058
2-[4-[(Z)-[(3,5-dichloro-2-pyridinyl)hydrazinylidene]methyl]phenoxy]acetonitrile
CID 9232173
N-(furan-2-ylmethylideneamino)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 3124056
3,5-dichloro-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]pyridin-2-amine
CID 4920888
3,4-dichloro-N-(furan-2-ylmethylideneamino)benzamide
CID 4991897
3,5-dichloro-N-methylpyridin-2-amine;hydrochloride
CID 159350440
(E)-1-(furan-2-yl)-N-[(Z)-[2,3,5,6-tetrachloro-4-[(E)-[(Z)-furan-2-ylmethylidenehydrazinylidene]methyl]phenyl]methylideneamino]methanimine
CID 54606337
5-(4-bromophenyl)-N-[(Z)-furan-2-ylmethylideneamino]-1,3-thiazol-2-amine
CID 6324102
3,5-dichloro-N-[(E)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]pyridin-2-amine
CID 6892976

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[(E)-furan-2-ylmethylideneamino]pyridin-2-amine?
The IUPAC name of 3,5-dichloro-N-[(E)-furan-2-ylmethylideneamino]pyridin-2-amine (CID 7256549) is 3,5-dichloro-N-[(E)-furan-2-ylmethylideneamino]pyridin-2-amine.
What is the SMILES notation for 3,5-dichloro-N-[(E)-furan-2-ylmethylideneamino]pyridin-2-amine?
The canonical SMILES for 3,5-dichloro-N-[(E)-furan-2-ylmethylideneamino]pyridin-2-amine is Clc1cnc(N/N=C/c2ccco2)c(Cl)c1.
What is the InChIKey of 3,5-dichloro-N-[(E)-furan-2-ylmethylideneamino]pyridin-2-amine?
The InChIKey is XURKYDOASRLXEE-MKMNVTDBSA-N. The full InChI is InChI=1S/C10H7Cl2N3O/c11-7-4-9(12)10(13-5-7)15-14-6-8-2-1-3-16-8/h1-6H,(H,13,15)/b14-6+.
What are the key properties of 3,5-dichloro-N-[(E)-furan-2-ylmethylideneamino]pyridin-2-amine?
3,5-dichloro-N-[(E)-furan-2-ylmethylideneamino]pyridin-2-amine has a molecular weight of 256.09 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[(E)-furan-2-ylmethylideneamino]pyridin-2-amine is sourced from PubChem (CID 7256549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).