2-bromo-4-chloro-6-[(E)-[[4-(difluoromethyl)-6-methyl-2-pyridinyl]hydrazinylidene]methyl]phenol

C14H11BrClF2N3O — CID 143199924

IUPAC2-bromo-4-chloro-6-[(E)-[[4-(difluoromethyl)-6-methyl-2-pyridinyl]hydrazinylidene]methyl]phenol
SMILESCc1cc(C(F)F)cc(N/N=C/c2cc(Cl)cc(Br)c2O)n1
InChIInChI=1S/C14H11BrClF2N3O/c1-7-2-8(14(17)18)4-12(20-7)21-19-6-9-3-10(16)5-11(15)13(9)22/h2-6,14,22H,1H3,(H,20,21)/b19-6+
InChIKeyCUNUGHGFVIOUHM-KPSZGOFPSA-N
MW390.62 g/mol
LogP4.90
Rot. Bonds4

About 2-bromo-4-chloro-6-[(E)-[[4-(difluoromethyl)-6-methyl-2-pyridinyl]hydrazinylidene]methyl]phenol

2-bromo-4-chloro-6-[(E)-[[4-(difluoromethyl)-6-methyl-2-pyridinyl]hydrazinylidene]methyl]phenol (PubChem CID 143199924) has the molecular formula C14H11BrClF2N3O and a molecular weight of 390.62 g/mol. Its IUPAC name is 2-bromo-4-chloro-6-[(E)-[[4-(difluoromethyl)-6-methyl-2-pyridinyl]hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2-bromo-4-chloro-6-[(E)-[[4-(difluoromethyl)-6-methyl-2-pyridinyl]hydrazinylidene]methyl]phenol
PubChem CID143199924
Molecular FormulaC14H11BrClF2N3O
Molecular Weight390.62 g/mol
Exact Mass388.97
IUPAC Name2-bromo-4-chloro-6-[(E)-[[4-(difluoromethyl)-6-methyl-2-pyridinyl]hydrazinylidene]methyl]phenol
SMILESCc1cc(C(F)F)cc(N/N=C/c2cc(Cl)cc(Br)c2O)n1
InChIInChI=1S/C14H11BrClF2N3O/c1-7-2-8(14(17)18)4-12(20-7)21-19-6-9-3-10(16)5-11(15)13(9)22/h2-6,14,22H,1H3,(H,20,21)/b19-6+
InChIKeyCUNUGHGFVIOUHM-KPSZGOFPSA-N
XLogP4.90
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.62
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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-bromo-4-chloro-6-[(E)-[[2-(diethylamino)pyrimidin-4-yl]hydrazinylidene]methyl]phenol
CID 135502998
N-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]methanesulfonamide
CID 727419
2,4-dibromo-6-[(E)-[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol
CID 135717168
N-[(E)-(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]-2-methylquinoline-4-carboxamide
CID 135957404
2-bromo-4-chloro-6-[(Z)-(quinolin-8-ylhydrazinylidene)methyl]phenol
CID 136914182
2-[(Z)-[(4-amino-1,2,4-triazol-3-yl)hydrazinylidene]methyl]-6-bromo-4-chlorophenol
CID 136767839
2-[(E)-[(4-amino-1,2,4-triazol-3-yl)hydrazinylidene]methyl]-6-bromo-4-chlorophenol
CID 135501463
2-bromo-4-chloro-6-methanehydrazonoylphenol
CID 136503874
2-bromo-4-chloro-6-[[[4-(3,5-dimethylpyrazol-1-yl)-6-(4-methylanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol
CID 5203294
2,6-dibromo-4-[(Z)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]phenol
CID 136803392
2-[(2E)-2-[(3,5-dibromo-2-hydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135685050
2,4-dibromo-6-[4-[2-[(2-methoxyphenyl)methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol
CID 3099378

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-chloro-6-[(E)-[[4-(difluoromethyl)-6-methyl-2-pyridinyl]hydrazinylidene]methyl]phenol?
The IUPAC name of 2-bromo-4-chloro-6-[(E)-[[4-(difluoromethyl)-6-methyl-2-pyridinyl]hydrazinylidene]methyl]phenol (CID 143199924) is 2-bromo-4-chloro-6-[(E)-[[4-(difluoromethyl)-6-methyl-2-pyridinyl]hydrazinylidene]methyl]phenol.
What is the SMILES notation for 2-bromo-4-chloro-6-[(E)-[[4-(difluoromethyl)-6-methyl-2-pyridinyl]hydrazinylidene]methyl]phenol?
The canonical SMILES for 2-bromo-4-chloro-6-[(E)-[[4-(difluoromethyl)-6-methyl-2-pyridinyl]hydrazinylidene]methyl]phenol is Cc1cc(C(F)F)cc(N/N=C/c2cc(Cl)cc(Br)c2O)n1.
What is the InChIKey of 2-bromo-4-chloro-6-[(E)-[[4-(difluoromethyl)-6-methyl-2-pyridinyl]hydrazinylidene]methyl]phenol?
The InChIKey is CUNUGHGFVIOUHM-KPSZGOFPSA-N. The full InChI is InChI=1S/C14H11BrClF2N3O/c1-7-2-8(14(17)18)4-12(20-7)21-19-6-9-3-10(16)5-11(15)13(9)22/h2-6,14,22H,1H3,(H,20,21)/b19-6+.
What are the key properties of 2-bromo-4-chloro-6-[(E)-[[4-(difluoromethyl)-6-methyl-2-pyridinyl]hydrazinylidene]methyl]phenol?
2-bromo-4-chloro-6-[(E)-[[4-(difluoromethyl)-6-methyl-2-pyridinyl]hydrazinylidene]methyl]phenol has a molecular weight of 390.62 g/mol, XLogP of 4.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-chloro-6-[(E)-[[4-(difluoromethyl)-6-methyl-2-pyridinyl]hydrazinylidene]methyl]phenol is sourced from PubChem (CID 143199924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).