(NZ)-N-[(4-methylimidazol-1-yl)-[6-(2,3,5,6-tetrafluorophenoxy)-3-pyridinyl]methylidene]hydroxylamine

C16H10F4N4O2 — CID 56666013

IUPAC(NZ)-N-[(4-methylimidazol-1-yl)-[6-(2,3,5,6-tetrafluorophenoxy)-3-pyridinyl]methylidene]hydroxylamine
SMILESCc1cn(/C(=N\O)c2ccc(Oc3c(F)c(F)cc(F)c3F)nc2)cn1
InChIInChI=1S/C16H10F4N4O2/c1-8-6-24(7-22-8)16(23-25)9-2-3-12(21-5-9)26-15-13(19)10(17)4-11(18)14(15)20/h2-7,25H,1H3/b23-16-
InChIKeySVJMSRMSWOZEID-KQWNVCNZSA-N
MW366.27 g/mol
LogP3.62
Rot. Bonds3

About (NZ)-N-[(4-methylimidazol-1-yl)-[6-(2,3,5,6-tetrafluorophenoxy)-3-pyridinyl]methylidene]hydroxylamine

(NZ)-N-[(4-methylimidazol-1-yl)-[6-(2,3,5,6-tetrafluorophenoxy)-3-pyridinyl]methylidene]hydroxylamine (PubChem CID 56666013) has the molecular formula C16H10F4N4O2 and a molecular weight of 366.27 g/mol. Its IUPAC name is (NZ)-N-[(4-methylimidazol-1-yl)-[6-(2,3,5,6-tetrafluorophenoxy)-3-pyridinyl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[(4-methylimidazol-1-yl)-[6-(2,3,5,6-tetrafluorophenoxy)-3-pyridinyl]methylidene]hydroxylamine
PubChem CID56666013
Molecular FormulaC16H10F4N4O2
Molecular Weight366.27 g/mol
Exact Mass366.07
IUPAC Name(NZ)-N-[(4-methylimidazol-1-yl)-[6-(2,3,5,6-tetrafluorophenoxy)-3-pyridinyl]methylidene]hydroxylamine
SMILESCc1cn(/C(=N\O)c2ccc(Oc3c(F)c(F)cc(F)c3F)nc2)cn1
InChIInChI=1S/C16H10F4N4O2/c1-8-6-24(7-22-8)16(23-25)9-2-3-12(21-5-9)26-15-13(19)10(17)4-11(18)14(15)20/h2-7,25H,1H3/b23-16-
InChIKeySVJMSRMSWOZEID-KQWNVCNZSA-N
XLogP3.62
TPSA72.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.27
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-Ethoxyphenyl)imidazo[1,2-a]pyridine
CID 720519
2-(4-Propoxyphenyl)imidazo[1,2-a]pyridine
CID 2876085
4-[3-(4-Imidazol-1-yl-phenoxy)-propyl]-pyridine
CID 44341260
3-[3-(4-Imidazol-1-yl-phenoxy)-propyl]-pyridine
CID 44341278
2-[4-(Trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine
CID 2812032
2-(3-Fluoro-4-methoxyphenyl)-8-methylimidazo[1,2-a]pyridine
CID 832352
4-(4-methoxyphenyl)-1-{[4-(trifluoromethyl)phenyl]methyl}-1H-imidazole
CID 6539911
2-(3-Fluoro-4-methoxyphenyl)imidazo[1,2-a]pyrimidine
CID 751904
2-(3-Fluoro-4-methoxyphenyl)-6-methylimidazo[1,2-a]pyridine
CID 784088
N,N-dimethylcarbamic acid [4-[6-(trifluoromethyl)-2-imidazo[1,2-a]pyridinyl]phenyl] ester
CID 852397
Dimethyl-{3-[4-(8-methyl-imidazo[1,2-a]pyridin-2-yl)-phenoxy]-propyl}-amine
CID 9839643
Dibutyl-{3-[4-(8-methyl-imidazo[1,2-a]pyridin-2-yl)-phenoxy]-propyl}-amine
CID 9865378

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[(4-methylimidazol-1-yl)-[6-(2,3,5,6-tetrafluorophenoxy)-3-pyridinyl]methylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[(4-methylimidazol-1-yl)-[6-(2,3,5,6-tetrafluorophenoxy)-3-pyridinyl]methylidene]hydroxylamine (CID 56666013) is (NZ)-N-[(4-methylimidazol-1-yl)-[6-(2,3,5,6-tetrafluorophenoxy)-3-pyridinyl]methylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[(4-methylimidazol-1-yl)-[6-(2,3,5,6-tetrafluorophenoxy)-3-pyridinyl]methylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[(4-methylimidazol-1-yl)-[6-(2,3,5,6-tetrafluorophenoxy)-3-pyridinyl]methylidene]hydroxylamine is Cc1cn(/C(=N\O)c2ccc(Oc3c(F)c(F)cc(F)c3F)nc2)cn1.
What is the InChIKey of (NZ)-N-[(4-methylimidazol-1-yl)-[6-(2,3,5,6-tetrafluorophenoxy)-3-pyridinyl]methylidene]hydroxylamine?
The InChIKey is SVJMSRMSWOZEID-KQWNVCNZSA-N. The full InChI is InChI=1S/C16H10F4N4O2/c1-8-6-24(7-22-8)16(23-25)9-2-3-12(21-5-9)26-15-13(19)10(17)4-11(18)14(15)20/h2-7,25H,1H3/b23-16-.
What are the key properties of (NZ)-N-[(4-methylimidazol-1-yl)-[6-(2,3,5,6-tetrafluorophenoxy)-3-pyridinyl]methylidene]hydroxylamine?
(NZ)-N-[(4-methylimidazol-1-yl)-[6-(2,3,5,6-tetrafluorophenoxy)-3-pyridinyl]methylidene]hydroxylamine has a molecular weight of 366.27 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(4-methylimidazol-1-yl)-[6-(2,3,5,6-tetrafluorophenoxy)-3-pyridinyl]methylidene]hydroxylamine is sourced from PubChem (CID 56666013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).