[3-[(2-chloro-6-fluorophenyl)iminomethyl]-5-fluoro-4-pyridinyl]azanide

C12H7ClF2N3- — CID 163952738

IUPAC[3-[(2-chloro-6-fluorophenyl)iminomethyl]-5-fluoro-4-pyridinyl]azanide
SMILES[NH-]c1c(F)cncc1/C=N/c1c(F)cccc1Cl
InChIInChI=1S/C12H7ClF2N3/c13-8-2-1-3-9(14)12(8)18-5-7-4-17-6-10(15)11(7)16/h1-6H,(H-,16,17)/q-1/b18-5+
InChIKeySASSJJGMLYACTL-BLLMUTORSA-N
MW266.66 g/mol
LogP4.45
Rot. Bonds2

About [3-[(2-chloro-6-fluorophenyl)iminomethyl]-5-fluoro-4-pyridinyl]azanide

[3-[(2-chloro-6-fluorophenyl)iminomethyl]-5-fluoro-4-pyridinyl]azanide (PubChem CID 163952738) has the molecular formula C12H7ClF2N3- and a molecular weight of 266.66 g/mol. Its IUPAC name is [3-[(2-chloro-6-fluorophenyl)iminomethyl]-5-fluoro-4-pyridinyl]azanide.

Molecular Properties

Compound Name[3-[(2-chloro-6-fluorophenyl)iminomethyl]-5-fluoro-4-pyridinyl]azanide
PubChem CID163952738
Molecular FormulaC12H7ClF2N3-
Molecular Weight266.66 g/mol
Exact Mass266.03
IUPAC Name[3-[(2-chloro-6-fluorophenyl)iminomethyl]-5-fluoro-4-pyridinyl]azanide
SMILES[NH-]c1c(F)cncc1/C=N/c1c(F)cccc1Cl
InChIInChI=1S/C12H7ClF2N3/c13-8-2-1-3-9(14)12(8)18-5-7-4-17-6-10(15)11(7)16/h1-6H,(H-,16,17)/q-1/b18-5+
InChIKeySASSJJGMLYACTL-BLLMUTORSA-N
XLogP4.45
TPSA49.05 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.66
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-chloro-6-fluorophenyl)-N-methylmethanimine
CID 18736702
dichloroiron;N-(2,6-difluorophenyl)-1-[5-[(2,6-difluorophenyl)iminomethyl]furan-2-yl]methanimine
CID 20701890
3-chloro-5-fluoro-4-phenylpyridine
CID 130935796
2-[(4-azido-5-fluoro-3-pyridinyl)methylideneamino]-5-bromo-3-chlorobenzonitrile
CID 123408491
1-chloro-2,3-difluorobenzene
CID 157449386
4-(2,6-dichlorophenyl)-3-fluoropyridine
CID 133090517
3,5-bis(2,3-dichlorophenyl)-4-fluoropyridine
CID 133090739
N-(2,6-difluorophenyl)-1-[5-[(2,6-difluorophenyl)iminomethyl]-3H-pyrrol-2-yl]methanimine
CID 18718956
1-(2-chloro-6-fluorophenyl)-N-(4-methylphenyl)methanimine
CID 918906
N-(2-chloro-6-methylphenyl)-1-phenylmethanimine
CID 5152819
N-[(2-chloro-3-fluorophenyl)methylidene]hydroxylamine
CID 142646224
bis(2-[1-(4-tert-butylphenyl)ethyl]-6-[(2,6-difluorophenyl)iminomethyl]phenol);dichlorotitanium
CID 166175408

Frequently Asked Questions

What is the IUPAC name of [3-[(2-chloro-6-fluorophenyl)iminomethyl]-5-fluoro-4-pyridinyl]azanide?
The IUPAC name of [3-[(2-chloro-6-fluorophenyl)iminomethyl]-5-fluoro-4-pyridinyl]azanide (CID 163952738) is [3-[(2-chloro-6-fluorophenyl)iminomethyl]-5-fluoro-4-pyridinyl]azanide.
What is the SMILES notation for [3-[(2-chloro-6-fluorophenyl)iminomethyl]-5-fluoro-4-pyridinyl]azanide?
The canonical SMILES for [3-[(2-chloro-6-fluorophenyl)iminomethyl]-5-fluoro-4-pyridinyl]azanide is [NH-]c1c(F)cncc1/C=N/c1c(F)cccc1Cl.
What is the InChIKey of [3-[(2-chloro-6-fluorophenyl)iminomethyl]-5-fluoro-4-pyridinyl]azanide?
The InChIKey is SASSJJGMLYACTL-BLLMUTORSA-N. The full InChI is InChI=1S/C12H7ClF2N3/c13-8-2-1-3-9(14)12(8)18-5-7-4-17-6-10(15)11(7)16/h1-6H,(H-,16,17)/q-1/b18-5+.
What are the key properties of [3-[(2-chloro-6-fluorophenyl)iminomethyl]-5-fluoro-4-pyridinyl]azanide?
[3-[(2-chloro-6-fluorophenyl)iminomethyl]-5-fluoro-4-pyridinyl]azanide has a molecular weight of 266.66 g/mol, XLogP of 4.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-chloro-6-fluorophenyl)iminomethyl]-5-fluoro-4-pyridinyl]azanide is sourced from PubChem (CID 163952738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).