2-[(Z)-[(4-chloro-5-fluoro-2-hydroxyphenyl)-pyridin-2-ylmethylidene]amino]guanidine;hydrochloride

C13H12Cl2FN5O — CID 139764275

IUPAC2-[(Z)-[(4-chloro-5-fluoro-2-hydroxyphenyl)-pyridin-2-ylmethylidene]amino]guanidine;hydrochloride
SMILESCl.NC(N)=N/N=C(\c1ccccn1)c1cc(F)c(Cl)cc1O
InChIInChI=1S/C13H11ClFN5O.ClH/c14-8-6-11(21)7(5-9(8)15)12(19-20-13(16)17)10-3-1-2-4-18-10;/h1-6,21H,(H4,16,17,20);1H/b19-12-;
InChIKeyGHCWVJQKLWHMGO-JHMJKTBASA-N
MW344.18 g/mol
LogP2.03
Rot. Bonds3

About 2-[(Z)-[(4-chloro-5-fluoro-2-hydroxyphenyl)-pyridin-2-ylmethylidene]amino]guanidine;hydrochloride

2-[(Z)-[(4-chloro-5-fluoro-2-hydroxyphenyl)-pyridin-2-ylmethylidene]amino]guanidine;hydrochloride (PubChem CID 139764275) has the molecular formula C13H12Cl2FN5O and a molecular weight of 344.18 g/mol. Its IUPAC name is 2-[(Z)-[(4-chloro-5-fluoro-2-hydroxyphenyl)-pyridin-2-ylmethylidene]amino]guanidine;hydrochloride.

Molecular Properties

Compound Name2-[(Z)-[(4-chloro-5-fluoro-2-hydroxyphenyl)-pyridin-2-ylmethylidene]amino]guanidine;hydrochloride
PubChem CID139764275
Molecular FormulaC13H12Cl2FN5O
Molecular Weight344.18 g/mol
Exact Mass343.04
IUPAC Name2-[(Z)-[(4-chloro-5-fluoro-2-hydroxyphenyl)-pyridin-2-ylmethylidene]amino]guanidine;hydrochloride
SMILESCl.NC(N)=N/N=C(\c1ccccn1)c1cc(F)c(Cl)cc1O
InChIInChI=1S/C13H11ClFN5O.ClH/c14-8-6-11(21)7(5-9(8)15)12(19-20-13(16)17)10-3-1-2-4-18-10;/h1-6,21H,(H4,16,17,20);1H/b19-12-;
InChIKeyGHCWVJQKLWHMGO-JHMJKTBASA-N
XLogP2.03
TPSA109.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.18
LogP ≤ 52.03
H-Bond Donors ≤ 53
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': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(Z)-[(4-propan-2-ylphenyl)-pyridin-2-ylmethylidene]amino]guanidine
CID 139764297
N'-aminopyridine-2-carboximidamide
CID 5464234
(2,5-dichlorophenyl)-pyridin-2-ylmethanone
CID 16638529
2-[(E)-[(2-amino-5-chlorophenyl)-phenylmethylidene]amino]guanidine;hydrochloride
CID 88525576
2,5-dichloro-4-fluorophenol
CID 3535760
3-chloro-4-fluoro-N-[(E)-1-pyridin-2-ylethylideneamino]aniline
CID 7350198
N-[(3-chlorophenyl)-pyridin-2-ylmethylidene]hydroxylamine
CID 142699149
N'-amino-4-chloro-2,5-difluorobenzenecarboximidamide
CID 82771669
N'-(dipyridin-2-ylmethylideneamino)-N,N-dimethylcarbamimidothioate;N'-(dipyridin-2-ylmethylideneamino)-N,N-dimethylcarbamimidothioate;nickel(2+)
CID 25193514
pyridine-2-carbothioamide;hydrochloride
CID 57440257
2,4-dichloro-5-fluoro-N-(3-hydroxy-2-pyridinyl)benzamide
CID 17394617
2-[(Z)-[(2,4-dihydroxyphenyl)-phenylmethylidene]amino]guanidine
CID 135460269

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-[(4-chloro-5-fluoro-2-hydroxyphenyl)-pyridin-2-ylmethylidene]amino]guanidine;hydrochloride?
The IUPAC name of 2-[(Z)-[(4-chloro-5-fluoro-2-hydroxyphenyl)-pyridin-2-ylmethylidene]amino]guanidine;hydrochloride (CID 139764275) is 2-[(Z)-[(4-chloro-5-fluoro-2-hydroxyphenyl)-pyridin-2-ylmethylidene]amino]guanidine;hydrochloride.
What is the SMILES notation for 2-[(Z)-[(4-chloro-5-fluoro-2-hydroxyphenyl)-pyridin-2-ylmethylidene]amino]guanidine;hydrochloride?
The canonical SMILES for 2-[(Z)-[(4-chloro-5-fluoro-2-hydroxyphenyl)-pyridin-2-ylmethylidene]amino]guanidine;hydrochloride is Cl.NC(N)=N/N=C(\c1ccccn1)c1cc(F)c(Cl)cc1O.
What is the InChIKey of 2-[(Z)-[(4-chloro-5-fluoro-2-hydroxyphenyl)-pyridin-2-ylmethylidene]amino]guanidine;hydrochloride?
The InChIKey is GHCWVJQKLWHMGO-JHMJKTBASA-N. The full InChI is InChI=1S/C13H11ClFN5O.ClH/c14-8-6-11(21)7(5-9(8)15)12(19-20-13(16)17)10-3-1-2-4-18-10;/h1-6,21H,(H4,16,17,20);1H/b19-12-;.
What are the key properties of 2-[(Z)-[(4-chloro-5-fluoro-2-hydroxyphenyl)-pyridin-2-ylmethylidene]amino]guanidine;hydrochloride?
2-[(Z)-[(4-chloro-5-fluoro-2-hydroxyphenyl)-pyridin-2-ylmethylidene]amino]guanidine;hydrochloride has a molecular weight of 344.18 g/mol, XLogP of 2.03, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-[(4-chloro-5-fluoro-2-hydroxyphenyl)-pyridin-2-ylmethylidene]amino]guanidine;hydrochloride is sourced from PubChem (CID 139764275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).