4-amino-2-chloro-5-(difluoromethyl)pyridin-3-ol

C6H5ClF2N2O — CID 118829005

IUPAC4-amino-2-chloro-5-(difluoromethyl)pyridin-3-ol
SMILESNc1c(C(F)F)cnc(Cl)c1O
InChIInChI=1S/C6H5ClF2N2O/c7-5-4(12)3(10)2(1-11-5)6(8)9/h1,6,12H,(H2,10,11)
InChIKeyFFLXUYATPNIMQZ-UHFFFAOYSA-N
MW194.57 g/mol
LogP1.96
Rot. Bonds1

About 4-amino-2-chloro-5-(difluoromethyl)pyridin-3-ol

4-amino-2-chloro-5-(difluoromethyl)pyridin-3-ol (PubChem CID 118829005) has the molecular formula C6H5ClF2N2O and a molecular weight of 194.57 g/mol. Its IUPAC name is 4-amino-2-chloro-5-(difluoromethyl)pyridin-3-ol.

Molecular Properties

Compound Name4-amino-2-chloro-5-(difluoromethyl)pyridin-3-ol
PubChem CID118829005
Molecular FormulaC6H5ClF2N2O
Molecular Weight194.57 g/mol
Exact Mass194.01
IUPAC Name4-amino-2-chloro-5-(difluoromethyl)pyridin-3-ol
SMILESNc1c(C(F)F)cnc(Cl)c1O
InChIInChI=1S/C6H5ClF2N2O/c7-5-4(12)3(10)2(1-11-5)6(8)9/h1,6,12H,(H2,10,11)
InChIKeyFFLXUYATPNIMQZ-UHFFFAOYSA-N
XLogP1.96
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.57
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-bromo-2-chloro-5-(difluoromethyl)pyridin-3-ol
CID 118799512
3-(aminomethyl)-2-chloro-5-(difluoromethyl)pyridin-4-amine
CID 118844985
2-chloro-5-(difluoromethyl)-3-hydroxypyridine-4-sulfonamide
CID 119007831
3-amino-2-chloro-5-(difluoromethyl)pyridine-4-carbonyl chloride
CID 130103026
2-chloro-5-(difluoromethyl)-3-(trifluoromethoxy)pyridin-4-amine
CID 118812417
3-chloro-5-(difluoromethyl)-2-iodopyridin-4-amine
CID 118829021
2-(aminomethyl)-3-chloro-5-(difluoromethyl)pyridin-4-amine
CID 118850860
4-chloro-5-(difluoromethyl)-2-fluoropyridin-3-ol
CID 118839459
2-(bromomethyl)-3-chloro-5-(difluoromethyl)pyridin-4-amine
CID 130102690
methyl 2-[3-amino-2-chloro-5-(difluoromethyl)-4-pyridinyl]acetate
CID 134683940
4-bromo-2-chloro-5-(difluoromethyl)pyridine-3-carboxylic acid
CID 118845722
3,4-diamino-5-(difluoromethyl)pyridine-2-carboxylic acid
CID 130098779

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-chloro-5-(difluoromethyl)pyridin-3-ol?
The IUPAC name of 4-amino-2-chloro-5-(difluoromethyl)pyridin-3-ol (CID 118829005) is 4-amino-2-chloro-5-(difluoromethyl)pyridin-3-ol.
What is the SMILES notation for 4-amino-2-chloro-5-(difluoromethyl)pyridin-3-ol?
The canonical SMILES for 4-amino-2-chloro-5-(difluoromethyl)pyridin-3-ol is Nc1c(C(F)F)cnc(Cl)c1O.
What is the InChIKey of 4-amino-2-chloro-5-(difluoromethyl)pyridin-3-ol?
The InChIKey is FFLXUYATPNIMQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClF2N2O/c7-5-4(12)3(10)2(1-11-5)6(8)9/h1,6,12H,(H2,10,11).
What are the key properties of 4-amino-2-chloro-5-(difluoromethyl)pyridin-3-ol?
4-amino-2-chloro-5-(difluoromethyl)pyridin-3-ol has a molecular weight of 194.57 g/mol, XLogP of 1.96, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-chloro-5-(difluoromethyl)pyridin-3-ol is sourced from PubChem (CID 118829005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).