2-[5-(5-chloro-2-methanimidoylanilino)-3-pyridinyl]propan-2-ol

C15H16ClN3O — CID 144651990

IUPAC2-[5-(5-chloro-2-methanimidoylanilino)-3-pyridinyl]propan-2-ol
SMILES[H]/N=C/c1ccc(Cl)cc1Nc1cncc(C(C)(C)O)c1
InChIInChI=1S/C15H16ClN3O/c1-15(2,20)11-5-13(9-18-8-11)19-14-6-12(16)4-3-10(14)7-17/h3-9,17,19-20H,1-2H3/b17-7+
InChIKeySYKIKOZGNPOXOG-REZTVBANSA-N
MW289.77 g/mol
LogP3.70
Rot. Bonds4

About 2-[5-(5-chloro-2-methanimidoylanilino)-3-pyridinyl]propan-2-ol

2-[5-(5-chloro-2-methanimidoylanilino)-3-pyridinyl]propan-2-ol (PubChem CID 144651990) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is 2-[5-(5-chloro-2-methanimidoylanilino)-3-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name2-[5-(5-chloro-2-methanimidoylanilino)-3-pyridinyl]propan-2-ol
PubChem CID144651990
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC Name2-[5-(5-chloro-2-methanimidoylanilino)-3-pyridinyl]propan-2-ol
SMILES[H]/N=C/c1ccc(Cl)cc1Nc1cncc(C(C)(C)O)c1
InChIInChI=1S/C15H16ClN3O/c1-15(2,20)11-5-13(9-18-8-11)19-14-6-12(16)4-3-10(14)7-17/h3-9,17,19-20H,1-2H3/b17-7+
InChIKeySYKIKOZGNPOXOG-REZTVBANSA-N
XLogP3.70
TPSA69.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 53.70
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-[5-[2-methanimidoyl-4-(trifluoromethyl)anilino]-3-pyridinyl]propan-2-ol
CID 130239056
2-[5-(4,5-difluoro-2-methanimidoylanilino)-3-pyridinyl]-1,1,1-trifluoropropan-2-ol
CID 123189877
5-N-(5-chloro-2-methylphenyl)-3-N-propylpyridine-3,5-diamine
CID 104532088
5-N-(2-bromo-5-chlorophenyl)-3-N-methylpyridine-3,5-diamine
CID 104535476
5-N-(5-chloro-2-methoxyphenyl)-3-N-propylpyridine-3,5-diamine
CID 104532269
(2,6-dichloroquinolin-3-yl)methanimine
CID 139304192
5-N-(2,4-dichlorophenyl)-3-N-propylpyridine-3,5-diamine
CID 104532123
N-(5-bromo-2-methanimidoylphenyl)-6-ethylpyrazin-2-amine
CID 130265992
4-methanimidoyl-3-N-(3-methylphenyl)benzene-1,3-diamine
CID 155713764
5-(5-chloro-2-methylanilino)-N-(4-chlorophenyl)pyridine-3-carboxamide
CID 109244563
5-cyano-N-[4-methanimidoyl-3-[(1-methylpyrazol-4-yl)amino]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 164587379
5-(5-chloro-2-methylanilino)-N-propan-2-ylpyridine-3-carboxamide
CID 109223277

Frequently Asked Questions

What is the IUPAC name of 2-[5-(5-chloro-2-methanimidoylanilino)-3-pyridinyl]propan-2-ol?
The IUPAC name of 2-[5-(5-chloro-2-methanimidoylanilino)-3-pyridinyl]propan-2-ol (CID 144651990) is 2-[5-(5-chloro-2-methanimidoylanilino)-3-pyridinyl]propan-2-ol.
What is the SMILES notation for 2-[5-(5-chloro-2-methanimidoylanilino)-3-pyridinyl]propan-2-ol?
The canonical SMILES for 2-[5-(5-chloro-2-methanimidoylanilino)-3-pyridinyl]propan-2-ol is [H]/N=C/c1ccc(Cl)cc1Nc1cncc(C(C)(C)O)c1.
What is the InChIKey of 2-[5-(5-chloro-2-methanimidoylanilino)-3-pyridinyl]propan-2-ol?
The InChIKey is SYKIKOZGNPOXOG-REZTVBANSA-N. The full InChI is InChI=1S/C15H16ClN3O/c1-15(2,20)11-5-13(9-18-8-11)19-14-6-12(16)4-3-10(14)7-17/h3-9,17,19-20H,1-2H3/b17-7+.
What are the key properties of 2-[5-(5-chloro-2-methanimidoylanilino)-3-pyridinyl]propan-2-ol?
2-[5-(5-chloro-2-methanimidoylanilino)-3-pyridinyl]propan-2-ol has a molecular weight of 289.77 g/mol, XLogP of 3.70, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(5-chloro-2-methanimidoylanilino)-3-pyridinyl]propan-2-ol is sourced from PubChem (CID 144651990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).