N-(benzhydrylideneamino)-6-fluoropyridin-2-amine

C18H14FN3 — CID 126742248

IUPACN-(benzhydrylideneamino)-6-fluoropyridin-2-amine
SMILESFc1cccc(NN=C(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C18H14FN3/c19-16-12-7-13-17(20-16)21-22-18(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-13H,(H,20,21)
InChIKeyLKZHRYSTQNURMC-UHFFFAOYSA-N
MW291.33 g/mol
LogP4.09
Rot. Bonds4

About N-(benzhydrylideneamino)-6-fluoropyridin-2-amine

N-(benzhydrylideneamino)-6-fluoropyridin-2-amine (PubChem CID 126742248) has the molecular formula C18H14FN3 and a molecular weight of 291.33 g/mol. Its IUPAC name is N-(benzhydrylideneamino)-6-fluoropyridin-2-amine.

Molecular Properties

Compound NameN-(benzhydrylideneamino)-6-fluoropyridin-2-amine
PubChem CID126742248
Molecular FormulaC18H14FN3
Molecular Weight291.33 g/mol
Exact Mass291.12
IUPAC NameN-(benzhydrylideneamino)-6-fluoropyridin-2-amine
SMILESFc1cccc(NN=C(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C18H14FN3/c19-16-12-7-13-17(20-16)21-22-18(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-13H,(H,20,21)
InChIKeyLKZHRYSTQNURMC-UHFFFAOYSA-N
XLogP4.09
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-Amino-4,6-diphenylpyridine-3-carbonitrile
CID 668105
4-(4-Methylphenyl)-6-phenylpyridin-2-amine
CID 2113077
6-Phenylpyridin-2-amine
CID 598430
6-(2-{5-Fluoro-3'-[(methylamino)methyl][1,1'-biphenyl]-3-yl}ethyl)-4-methylpyridin-2-amine
CID 134686798
N-[(E)-(2,6-difluorophenyl)methylideneamino]pyridin-2-amine
CID 9640541
4-methyl-N-[(E)-5-methylhexan-2-ylideneamino]quinolin-2-amine
CID 9642653
N-[(E)-(3-fluorophenyl)methylideneamino]pyridin-2-amine
CID 9662457
N-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]pyridin-2-amine
CID 9684272
2-Amino-4-(4-fluorophenyl)-6-phenylpyridine-3-carbonitrile
CID 917384
2-Benzyl-1-(6-benzyl-2-pyridinyl)guanidine
CID 44533049
6-Styrylpyridin-2-amine
CID 14590355
6-(2-Phenylethyl)pyridin-2-amine
CID 13070818

Frequently Asked Questions

What is the IUPAC name of N-(benzhydrylideneamino)-6-fluoropyridin-2-amine?
The IUPAC name of N-(benzhydrylideneamino)-6-fluoropyridin-2-amine (CID 126742248) is N-(benzhydrylideneamino)-6-fluoropyridin-2-amine.
What is the SMILES notation for N-(benzhydrylideneamino)-6-fluoropyridin-2-amine?
The canonical SMILES for N-(benzhydrylideneamino)-6-fluoropyridin-2-amine is Fc1cccc(NN=C(c2ccccc2)c2ccccc2)n1.
What is the InChIKey of N-(benzhydrylideneamino)-6-fluoropyridin-2-amine?
The InChIKey is LKZHRYSTQNURMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3/c19-16-12-7-13-17(20-16)21-22-18(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-13H,(H,20,21).
What are the key properties of N-(benzhydrylideneamino)-6-fluoropyridin-2-amine?
N-(benzhydrylideneamino)-6-fluoropyridin-2-amine has a molecular weight of 291.33 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzhydrylideneamino)-6-fluoropyridin-2-amine is sourced from PubChem (CID 126742248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).