1-(2-chloro-6-nitrophenyl)-N-pyridin-3-ylmethanimine

C12H8ClN3O2 — CID 169152049

IUPAC1-(2-chloro-6-nitrophenyl)-N-pyridin-3-ylmethanimine
SMILESO=[N+]([O-])c1cccc(Cl)c1/C=N/c1cccnc1
InChIInChI=1S/C12H8ClN3O2/c13-11-4-1-5-12(16(17)18)10(11)8-15-9-3-2-6-14-7-9/h1-8H/b15-8+
InChIKeyNQBAKYUXKSANMI-OVCLIPMQSA-N
MW261.67 g/mol
LogP3.39
Rot. Bonds3

About 1-(2-chloro-6-nitrophenyl)-N-pyridin-3-ylmethanimine

1-(2-chloro-6-nitrophenyl)-N-pyridin-3-ylmethanimine (PubChem CID 169152049) has the molecular formula C12H8ClN3O2 and a molecular weight of 261.67 g/mol. Its IUPAC name is 1-(2-chloro-6-nitrophenyl)-N-pyridin-3-ylmethanimine.

Molecular Properties

Compound Name1-(2-chloro-6-nitrophenyl)-N-pyridin-3-ylmethanimine
PubChem CID169152049
Molecular FormulaC12H8ClN3O2
Molecular Weight261.67 g/mol
Exact Mass261.03
IUPAC Name1-(2-chloro-6-nitrophenyl)-N-pyridin-3-ylmethanimine
SMILESO=[N+]([O-])c1cccc(Cl)c1/C=N/c1cccnc1
InChIInChI=1S/C12H8ClN3O2/c13-11-4-1-5-12(16(17)18)10(11)8-15-9-3-2-6-14-7-9/h1-8H/b15-8+
InChIKeyNQBAKYUXKSANMI-OVCLIPMQSA-N
XLogP3.39
TPSA68.39 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.67
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

4-chloro-2-nitro-6-(pyridin-3-yliminomethyl)phenol
CID 813505
1-[2-nitro-5-(trifluoromethyl)phenyl]-N-pyridin-3-ylmethanimine
CID 121379347
4-[(2,6-dichlorophenyl)methylideneamino]-N-pyridin-3-ylbenzenesulfonamide
CID 28589320
N-(2-nitrophenyl)-1-pyridin-3-ylmethanimine
CID 19173128
(Z)-1-(2,6-dichlorophenyl)-N-(5-nitro-1,3-thiazol-2-yl)methanimine
CID 122714101
N-[(E)-(2-chloro-6-nitrophenyl)methylideneamino]-4,5-dihydro-1H-imidazol-2-amine
CID 140896143
N-[(3S,3aR,6S,6aR)-6-[(2-chloro-6-nitrophenyl)methylideneamino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-1-(2-chloro-6-nitrophenyl)methanimine
CID 101197324
3-(2-chloro-6-nitrophenyl)prop-2-enoic acid
CID 53401627
(2,6-dinitrophenyl)methylidenehydrazine
CID 168530907
3-[(E)-2-(4-chloro-3-nitrophenyl)ethenyl]pyridine
CID 22285183
2-nitro-6-[(2-pyridin-3-yl-1,3-benzoxazol-5-yl)iminomethyl]phenol
CID 171978560
(E)-3-(2-chloro-6-nitrophenyl)-2-methylprop-2-enoic acid
CID 170873125

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-nitrophenyl)-N-pyridin-3-ylmethanimine?
The IUPAC name of 1-(2-chloro-6-nitrophenyl)-N-pyridin-3-ylmethanimine (CID 169152049) is 1-(2-chloro-6-nitrophenyl)-N-pyridin-3-ylmethanimine.
What is the SMILES notation for 1-(2-chloro-6-nitrophenyl)-N-pyridin-3-ylmethanimine?
The canonical SMILES for 1-(2-chloro-6-nitrophenyl)-N-pyridin-3-ylmethanimine is O=[N+]([O-])c1cccc(Cl)c1/C=N/c1cccnc1.
What is the InChIKey of 1-(2-chloro-6-nitrophenyl)-N-pyridin-3-ylmethanimine?
The InChIKey is NQBAKYUXKSANMI-OVCLIPMQSA-N. The full InChI is InChI=1S/C12H8ClN3O2/c13-11-4-1-5-12(16(17)18)10(11)8-15-9-3-2-6-14-7-9/h1-8H/b15-8+.
What are the key properties of 1-(2-chloro-6-nitrophenyl)-N-pyridin-3-ylmethanimine?
1-(2-chloro-6-nitrophenyl)-N-pyridin-3-ylmethanimine has a molecular weight of 261.67 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-nitrophenyl)-N-pyridin-3-ylmethanimine is sourced from PubChem (CID 169152049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).