4-[[2-(4-chloropyridine-2-carboximidoyl)anilino]methyl]-3,5-difluorophenol

C19H14ClF2N3O — CID 144714199

IUPAC4-[[2-(4-chloropyridine-2-carboximidoyl)anilino]methyl]-3,5-difluorophenol
SMILES[H]/N=C(\c1cc(Cl)ccn1)c1ccccc1NCc1c(F)cc(O)cc1F
InChIInChI=1S/C19H14ClF2N3O/c20-11-5-6-24-18(7-11)19(23)13-3-1-2-4-17(13)25-10-14-15(21)8-12(26)9-16(14)22/h1-9,23,25-26H,10H2/b23-19-
InChIKeyIPMYTAKADJFYDZ-NMWGTECJSA-N
MW373.79 g/mol
LogP4.75
Rot. Bonds5

About 4-[[2-(4-chloropyridine-2-carboximidoyl)anilino]methyl]-3,5-difluorophenol

4-[[2-(4-chloropyridine-2-carboximidoyl)anilino]methyl]-3,5-difluorophenol (PubChem CID 144714199) has the molecular formula C19H14ClF2N3O and a molecular weight of 373.79 g/mol. Its IUPAC name is 4-[[2-(4-chloropyridine-2-carboximidoyl)anilino]methyl]-3,5-difluorophenol.

Molecular Properties

Compound Name4-[[2-(4-chloropyridine-2-carboximidoyl)anilino]methyl]-3,5-difluorophenol
PubChem CID144714199
Molecular FormulaC19H14ClF2N3O
Molecular Weight373.79 g/mol
Exact Mass373.08
IUPAC Name4-[[2-(4-chloropyridine-2-carboximidoyl)anilino]methyl]-3,5-difluorophenol
SMILES[H]/N=C(\c1cc(Cl)ccn1)c1ccccc1NCc1c(F)cc(O)cc1F
InChIInChI=1S/C19H14ClF2N3O/c20-11-5-6-24-18(7-11)19(23)13-3-1-2-4-17(13)25-10-14-15(21)8-12(26)9-16(14)22/h1-9,23,25-26H,10H2/b23-19-
InChIKeyIPMYTAKADJFYDZ-NMWGTECJSA-N
XLogP4.75
TPSA69.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.79
LogP ≤ 54.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[(4-ethoxy-2,6-difluorophenyl)methylamino]benzenecarboximidoyl]-6-ethyl-N-(2-methyl-4-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
CID 145043236
4-chloro-N-(3-fluoro-2-iodophenyl)pyridine-2-carboxamide
CID 113340906
4-chloro-N-[2-[(4-chloropyridine-2-carbonyl)amino]phenyl]pyridine-2-carboxamide
CID 102274363
4-chloro-N-(2-hydroxyphenyl)pyridine-2-carboxamide
CID 35852171
2-[2-[(4-ethoxy-2,6-difluorophenyl)methylamino]benzenecarboximidoyl]-5-(3-methoxypropyl)-N-pyridin-4-yl-3,4-dihydropyridin-6-amine
CID 145043324
2-[2-[(4-chloro-2-methylphenyl)methylamino]phenyl]-2-iminoacetaldehyde
CID 143179345
4-chloro-N-(5-chloro-2-fluorophenyl)pyridine-2-carboxamide
CID 43385379
2-[(2-chloro-6-fluorophenyl)methylamino]-6-fluorophenol
CID 69010950
2-[2-[(2,4-dichlorophenyl)methylamino]phenyl]-2-imino-N-(1,3-thiazol-2-yl)acetamide
CID 163876538
2,5-dichloro-N-[(2,6-difluorophenyl)methyl]aniline
CID 30051961
methyl 2-[(5-chloro-2-fluorophenyl)methylamino]benzoate
CID 114841534
2-[2-[(4-chloropyridine-2-carbonyl)amino]phenyl]acetic acid
CID 62535920

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-chloropyridine-2-carboximidoyl)anilino]methyl]-3,5-difluorophenol?
The IUPAC name of 4-[[2-(4-chloropyridine-2-carboximidoyl)anilino]methyl]-3,5-difluorophenol (CID 144714199) is 4-[[2-(4-chloropyridine-2-carboximidoyl)anilino]methyl]-3,5-difluorophenol.
What is the SMILES notation for 4-[[2-(4-chloropyridine-2-carboximidoyl)anilino]methyl]-3,5-difluorophenol?
The canonical SMILES for 4-[[2-(4-chloropyridine-2-carboximidoyl)anilino]methyl]-3,5-difluorophenol is [H]/N=C(\c1cc(Cl)ccn1)c1ccccc1NCc1c(F)cc(O)cc1F.
What is the InChIKey of 4-[[2-(4-chloropyridine-2-carboximidoyl)anilino]methyl]-3,5-difluorophenol?
The InChIKey is IPMYTAKADJFYDZ-NMWGTECJSA-N. The full InChI is InChI=1S/C19H14ClF2N3O/c20-11-5-6-24-18(7-11)19(23)13-3-1-2-4-17(13)25-10-14-15(21)8-12(26)9-16(14)22/h1-9,23,25-26H,10H2/b23-19-.
What are the key properties of 4-[[2-(4-chloropyridine-2-carboximidoyl)anilino]methyl]-3,5-difluorophenol?
4-[[2-(4-chloropyridine-2-carboximidoyl)anilino]methyl]-3,5-difluorophenol has a molecular weight of 373.79 g/mol, XLogP of 4.75, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-chloropyridine-2-carboximidoyl)anilino]methyl]-3,5-difluorophenol is sourced from PubChem (CID 144714199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).