(NE)-N-[[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indol-3-yl]methylidene]hydroxylamine

C15H9ClF3N3O — CID 20850729

IUPAC(NE)-N-[[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indol-3-yl]methylidene]hydroxylamine
SMILESO/N=C/c1cn(-c2ncc(C(F)(F)F)cc2Cl)c2ccccc12
InChIInChI=1S/C15H9ClF3N3O/c16-12-5-10(15(17,18)19)7-20-14(12)22-8-9(6-21-23)11-3-1-2-4-13(11)22/h1-8,23H/b21-6+
InChIKeyFAXRZDIWHUIJLR-AERZKKPOSA-N
MW339.70 g/mol
LogP4.51
Rot. Bonds2

About (NE)-N-[[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indol-3-yl]methylidene]hydroxylamine

(NE)-N-[[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indol-3-yl]methylidene]hydroxylamine (PubChem CID 20850729) has the molecular formula C15H9ClF3N3O and a molecular weight of 339.70 g/mol. Its IUPAC name is (NE)-N-[[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indol-3-yl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indol-3-yl]methylidene]hydroxylamine
PubChem CID20850729
Molecular FormulaC15H9ClF3N3O
Molecular Weight339.70 g/mol
Exact Mass339.04
IUPAC Name(NE)-N-[[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indol-3-yl]methylidene]hydroxylamine
SMILESO/N=C/c1cn(-c2ncc(C(F)(F)F)cc2Cl)c2ccccc12
InChIInChI=1S/C15H9ClF3N3O/c16-12-5-10(15(17,18)19)7-20-14(12)22-8-9(6-21-23)11-3-1-2-4-13(11)22/h1-8,23H/b21-6+
InChIKeyFAXRZDIWHUIJLR-AERZKKPOSA-N
XLogP4.51
TPSA50.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.70
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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

N-[[1-[4-(trifluoromethyl)phenyl]indol-3-yl]methylidene]hydroxylamine
CID 176652794
2-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indol-3-yl]-2-oxoacetamide
CID 3270209
3-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indol-3-yl]-N,N-dimethylpropan-1-amine
CID 170866888
(NZ)-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methylidene]hydroxylamine
CID 136676474
methyl 2-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indol-3-yl]-3-(4-methoxyanilino)prop-2-enoate
CID 4586234
1-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indazol-3-yl]-2,2,2-trifluoroethanone
CID 24959859
3-chloro-2-pyrazol-1-yl-5-(trifluoromethyl)pyridine
CID 1478737
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carbonitrile
CID 3717416
3-chloro-2-(3-chloropyrrol-1-yl)-5-(trifluoromethyl)pyridine
CID 54246481
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,3-dihydroindole
CID 53408255
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1-methylindole-3-carboxylic acid
CID 46910672
2-bromo-1-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrol-2-yl]ethanone
CID 87686993

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indol-3-yl]methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indol-3-yl]methylidene]hydroxylamine (CID 20850729) is (NE)-N-[[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indol-3-yl]methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indol-3-yl]methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indol-3-yl]methylidene]hydroxylamine is O/N=C/c1cn(-c2ncc(C(F)(F)F)cc2Cl)c2ccccc12.
What is the InChIKey of (NE)-N-[[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indol-3-yl]methylidene]hydroxylamine?
The InChIKey is FAXRZDIWHUIJLR-AERZKKPOSA-N. The full InChI is InChI=1S/C15H9ClF3N3O/c16-12-5-10(15(17,18)19)7-20-14(12)22-8-9(6-21-23)11-3-1-2-4-13(11)22/h1-8,23H/b21-6+.
What are the key properties of (NE)-N-[[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indol-3-yl]methylidene]hydroxylamine?
(NE)-N-[[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indol-3-yl]methylidene]hydroxylamine has a molecular weight of 339.70 g/mol, XLogP of 4.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indol-3-yl]methylidene]hydroxylamine is sourced from PubChem (CID 20850729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).