N-[(Z)-[3-chloro-4-(difluoromethoxy)-5-methoxyphenyl]methylideneamino]pyridin-2-amine

C14H12ClF2N3O2 — CID 9121741

IUPACN-[(Z)-[3-chloro-4-(difluoromethoxy)-5-methoxyphenyl]methylideneamino]pyridin-2-amine
SMILESCOc1cc(/C=N\Nc2ccccn2)cc(Cl)c1OC(F)F
InChIInChI=1S/C14H12ClF2N3O2/c1-21-11-7-9(6-10(15)13(11)22-14(16)17)8-19-20-12-4-2-3-5-18-12/h2-8,14H,1H3,(H,18,20)/b19-8-
InChIKeyNHTSECZNOCONMV-UWVJOHFNSA-N
MW327.72 g/mol
LogP3.79
Rot. Bonds6

About N-[(Z)-[3-chloro-4-(difluoromethoxy)-5-methoxyphenyl]methylideneamino]pyridin-2-amine

N-[(Z)-[3-chloro-4-(difluoromethoxy)-5-methoxyphenyl]methylideneamino]pyridin-2-amine (PubChem CID 9121741) has the molecular formula C14H12ClF2N3O2 and a molecular weight of 327.72 g/mol. Its IUPAC name is N-[(Z)-[3-chloro-4-(difluoromethoxy)-5-methoxyphenyl]methylideneamino]pyridin-2-amine.

Molecular Properties

Compound NameN-[(Z)-[3-chloro-4-(difluoromethoxy)-5-methoxyphenyl]methylideneamino]pyridin-2-amine
PubChem CID9121741
Molecular FormulaC14H12ClF2N3O2
Molecular Weight327.72 g/mol
Exact Mass327.06
IUPAC NameN-[(Z)-[3-chloro-4-(difluoromethoxy)-5-methoxyphenyl]methylideneamino]pyridin-2-amine
SMILESCOc1cc(/C=N\Nc2ccccn2)cc(Cl)c1OC(F)F
InChIInChI=1S/C14H12ClF2N3O2/c1-21-11-7-9(6-10(15)13(11)22-14(16)17)8-19-20-12-4-2-3-5-18-12/h2-8,14H,1H3,(H,18,20)/b19-8-
InChIKeyNHTSECZNOCONMV-UWVJOHFNSA-N
XLogP3.79
TPSA55.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.72
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

N-[(Z)-[3-chloro-4-(difluoromethoxy)-5-methoxyphenyl]methylideneamino]-2-nitroaniline
CID 9059090
N-[(3,4-dichlorophenyl)methylideneamino]pyridin-2-amine
CID 3937585
2-methoxy-4-[(pyridin-2-ylhydrazinylidene)methyl]phenol
CID 3709889
2-chloro-N-[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]aniline
CID 9069889
3-chloro-5-[(E)-(pyridin-2-ylhydrazinylidene)methyl]benzene-1,2-diol
CID 135747793
N-[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]pyridin-2-amine
CID 5008756
N-[(2,4,6-trimethoxyphenyl)methylideneamino]pyridin-2-amine
CID 4235681
N-[(E)-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]pyridin-2-amine
CID 110505665
2-methoxy-6-prop-2-enyl-4-[(pyridin-2-ylhydrazinylidene)methyl]phenol
CID 136704845
N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]pyridin-2-amine
CID 6146230
N-[(E)-(4-hexoxy-3-methoxy-5-nitrophenyl)methylideneamino]pyridin-2-amine
CID 110505616
4-chloro-3-[(2Z)-2-[[4-(difluoromethoxy)-3,5-dimethoxyphenyl]methylidene]hydrazinyl]benzoate
CID 8974239

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[3-chloro-4-(difluoromethoxy)-5-methoxyphenyl]methylideneamino]pyridin-2-amine?
The IUPAC name of N-[(Z)-[3-chloro-4-(difluoromethoxy)-5-methoxyphenyl]methylideneamino]pyridin-2-amine (CID 9121741) is N-[(Z)-[3-chloro-4-(difluoromethoxy)-5-methoxyphenyl]methylideneamino]pyridin-2-amine.
What is the SMILES notation for N-[(Z)-[3-chloro-4-(difluoromethoxy)-5-methoxyphenyl]methylideneamino]pyridin-2-amine?
The canonical SMILES for N-[(Z)-[3-chloro-4-(difluoromethoxy)-5-methoxyphenyl]methylideneamino]pyridin-2-amine is COc1cc(/C=N\Nc2ccccn2)cc(Cl)c1OC(F)F.
What is the InChIKey of N-[(Z)-[3-chloro-4-(difluoromethoxy)-5-methoxyphenyl]methylideneamino]pyridin-2-amine?
The InChIKey is NHTSECZNOCONMV-UWVJOHFNSA-N. The full InChI is InChI=1S/C14H12ClF2N3O2/c1-21-11-7-9(6-10(15)13(11)22-14(16)17)8-19-20-12-4-2-3-5-18-12/h2-8,14H,1H3,(H,18,20)/b19-8-.
What are the key properties of N-[(Z)-[3-chloro-4-(difluoromethoxy)-5-methoxyphenyl]methylideneamino]pyridin-2-amine?
N-[(Z)-[3-chloro-4-(difluoromethoxy)-5-methoxyphenyl]methylideneamino]pyridin-2-amine has a molecular weight of 327.72 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[3-chloro-4-(difluoromethoxy)-5-methoxyphenyl]methylideneamino]pyridin-2-amine is sourced from PubChem (CID 9121741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).