N-(3-chloro-4-methoxybutyl)-3,5-difluoropyridin-2-amine

C10H13ClF2N2O — CID 106243313

IUPACN-(3-chloro-4-methoxybutyl)-3,5-difluoropyridin-2-amine
SMILESCOCC(Cl)CCNc1ncc(F)cc1F
InChIInChI=1S/C10H13ClF2N2O/c1-16-6-7(11)2-3-14-10-9(13)4-8(12)5-15-10/h4-5,7H,2-3,6H2,1H3,(H,14,15)
InChIKeyFUISYFTXWXNKJW-UHFFFAOYSA-N
MW250.68 g/mol
LogP2.42
Rot. Bonds6

About N-(3-chloro-4-methoxybutyl)-3,5-difluoropyridin-2-amine

N-(3-chloro-4-methoxybutyl)-3,5-difluoropyridin-2-amine (PubChem CID 106243313) has the molecular formula C10H13ClF2N2O and a molecular weight of 250.68 g/mol. Its IUPAC name is N-(3-chloro-4-methoxybutyl)-3,5-difluoropyridin-2-amine.

Molecular Properties

Compound NameN-(3-chloro-4-methoxybutyl)-3,5-difluoropyridin-2-amine
PubChem CID106243313
Molecular FormulaC10H13ClF2N2O
Molecular Weight250.68 g/mol
Exact Mass250.07
IUPAC NameN-(3-chloro-4-methoxybutyl)-3,5-difluoropyridin-2-amine
SMILESCOCC(Cl)CCNc1ncc(F)cc1F
InChIInChI=1S/C10H13ClF2N2O/c1-16-6-7(11)2-3-14-10-9(13)4-8(12)5-15-10/h4-5,7H,2-3,6H2,1H3,(H,14,15)
InChIKeyFUISYFTXWXNKJW-UHFFFAOYSA-N
XLogP2.42
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.68
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3,3-difluoropropyl)-3,5-difluoropyridin-2-amine
CID 127013338
3,5-difluoro-N-[2-(3-methylbutoxy)ethyl]pyridin-2-amine
CID 112675793
1-N-(3,5-difluoro-2-pyridinyl)pentane-1,4-diamine
CID 106127704
N-(3-chloropropyl)-3,5-difluoropyridin-2-amine
CID 112676550
3,5-difluoro-N-(4-propan-2-yloxybutyl)pyridin-2-amine
CID 106012540
N-(3-chloro-4-methoxybutyl)-5-fluoropyridine-3-sulfonamide
CID 106245517
3-bromo-N-(3-chloro-4-methoxybutyl)pyridin-2-amine
CID 106242892
2-[3-[(3,5-difluoro-2-pyridinyl)amino]propoxy]ethanol
CID 106306945
3,5-difluoro-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine
CID 102913974
2-[(3,5-difluoro-2-pyridinyl)amino]-N-methylethanesulfonamide
CID 106337617
N-[2-[(3,5-difluoro-2-pyridinyl)amino]ethyl]methanesulfonamide
CID 112675620
N-(3-chloro-4-methoxybutyl)-5-(trifluoromethyl)pyridin-2-amine
CID 106242955

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxybutyl)-3,5-difluoropyridin-2-amine?
The IUPAC name of N-(3-chloro-4-methoxybutyl)-3,5-difluoropyridin-2-amine (CID 106243313) is N-(3-chloro-4-methoxybutyl)-3,5-difluoropyridin-2-amine.
What is the SMILES notation for N-(3-chloro-4-methoxybutyl)-3,5-difluoropyridin-2-amine?
The canonical SMILES for N-(3-chloro-4-methoxybutyl)-3,5-difluoropyridin-2-amine is COCC(Cl)CCNc1ncc(F)cc1F.
What is the InChIKey of N-(3-chloro-4-methoxybutyl)-3,5-difluoropyridin-2-amine?
The InChIKey is FUISYFTXWXNKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClF2N2O/c1-16-6-7(11)2-3-14-10-9(13)4-8(12)5-15-10/h4-5,7H,2-3,6H2,1H3,(H,14,15).
What are the key properties of N-(3-chloro-4-methoxybutyl)-3,5-difluoropyridin-2-amine?
N-(3-chloro-4-methoxybutyl)-3,5-difluoropyridin-2-amine has a molecular weight of 250.68 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxybutyl)-3,5-difluoropyridin-2-amine is sourced from PubChem (CID 106243313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).