N-[(3,4-dichlorophenyl)methylideneamino]pyridin-2-amine

C12H9Cl2N3 — CID 3937585

IUPACN-[(3,4-dichlorophenyl)methylideneamino]pyridin-2-amine
SMILESClc1ccc(C=NNc2ccccn2)cc1Cl
InChIInChI=1S/C12H9Cl2N3/c13-10-5-4-9(7-11(10)14)8-16-17-12-3-1-2-6-15-12/h1-8H,(H,15,17)
InChIKeyPJFHCTPYWZVYAF-UHFFFAOYSA-N
MW266.13 g/mol
LogP3.83
Rot. Bonds3

About N-[(3,4-dichlorophenyl)methylideneamino]pyridin-2-amine

N-[(3,4-dichlorophenyl)methylideneamino]pyridin-2-amine (PubChem CID 3937585) has the molecular formula C12H9Cl2N3 and a molecular weight of 266.13 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methylideneamino]pyridin-2-amine.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methylideneamino]pyridin-2-amine
PubChem CID3937585
Molecular FormulaC12H9Cl2N3
Molecular Weight266.13 g/mol
Exact Mass265.02
IUPAC NameN-[(3,4-dichlorophenyl)methylideneamino]pyridin-2-amine
SMILESClc1ccc(C=NNc2ccccn2)cc1Cl
InChIInChI=1S/C12H9Cl2N3/c13-10-5-4-9(7-11(10)14)8-16-17-12-3-1-2-6-15-12/h1-8H,(H,15,17)
InChIKeyPJFHCTPYWZVYAF-UHFFFAOYSA-N
XLogP3.83
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.13
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-chloro-5-[(E)-(pyridin-2-ylhydrazinylidene)methyl]benzene-1,2-diol
CID 135747793
4-[(pyridin-2-ylhydrazinylidene)methyl]benzonitrile
CID 4529137
N-[(Z)-[3-chloro-4-(difluoromethoxy)-5-methoxyphenyl]methylideneamino]pyridin-2-amine
CID 9121741
N-[(10-chloroanthracen-9-yl)methylideneamino]pyridin-2-amine
CID 3575879
4-[(pyridin-2-ylhydrazinylidene)methyl]benzenecarbothioamide
CID 4551729
2-methoxy-4-[(pyridin-2-ylhydrazinylidene)methyl]phenol
CID 3709889
N-[(E)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]pyridin-2-amine
CID 110505657
2-ethoxy-4-[(pyridin-2-ylhydrazinylidene)methyl]phenol
CID 3384370
N-[(4-bromo-3-nitrophenyl)methylideneamino]pyridin-2-amine
CID 84888865
3,4-dichloro-N-[(Z)-quinolin-6-ylmethylideneamino]aniline
CID 6146065
3,4-dichloro-N-(quinolin-6-ylmethylideneamino)aniline
CID 4545818
2-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol
CID 135439965

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methylideneamino]pyridin-2-amine?
The IUPAC name of N-[(3,4-dichlorophenyl)methylideneamino]pyridin-2-amine (CID 3937585) is N-[(3,4-dichlorophenyl)methylideneamino]pyridin-2-amine.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methylideneamino]pyridin-2-amine?
The canonical SMILES for N-[(3,4-dichlorophenyl)methylideneamino]pyridin-2-amine is Clc1ccc(C=NNc2ccccn2)cc1Cl.
What is the InChIKey of N-[(3,4-dichlorophenyl)methylideneamino]pyridin-2-amine?
The InChIKey is PJFHCTPYWZVYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2N3/c13-10-5-4-9(7-11(10)14)8-16-17-12-3-1-2-6-15-12/h1-8H,(H,15,17).
What are the key properties of N-[(3,4-dichlorophenyl)methylideneamino]pyridin-2-amine?
N-[(3,4-dichlorophenyl)methylideneamino]pyridin-2-amine has a molecular weight of 266.13 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methylideneamino]pyridin-2-amine is sourced from PubChem (CID 3937585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).