N-(3-chloropropyl)-3,5-difluoropyridin-2-amine

C8H9ClF2N2 — CID 112676550

IUPACN-(3-chloropropyl)-3,5-difluoropyridin-2-amine
SMILESFc1cnc(NCCCCl)c(F)c1
InChIInChI=1S/C8H9ClF2N2/c9-2-1-3-12-8-7(11)4-6(10)5-13-8/h4-5H,1-3H2,(H,12,13)
InChIKeyBORCJXLYFWCHAS-UHFFFAOYSA-N
MW206.62 g/mol
LogP2.40
Rot. Bonds4

About N-(3-chloropropyl)-3,5-difluoropyridin-2-amine

N-(3-chloropropyl)-3,5-difluoropyridin-2-amine (PubChem CID 112676550) has the molecular formula C8H9ClF2N2 and a molecular weight of 206.62 g/mol. Its IUPAC name is N-(3-chloropropyl)-3,5-difluoropyridin-2-amine.

Molecular Properties

Compound NameN-(3-chloropropyl)-3,5-difluoropyridin-2-amine
PubChem CID112676550
Molecular FormulaC8H9ClF2N2
Molecular Weight206.62 g/mol
Exact Mass206.04
IUPAC NameN-(3-chloropropyl)-3,5-difluoropyridin-2-amine
SMILESFc1cnc(NCCCCl)c(F)c1
InChIInChI=1S/C8H9ClF2N2/c9-2-1-3-12-8-7(11)4-6(10)5-13-8/h4-5H,1-3H2,(H,12,13)
InChIKeyBORCJXLYFWCHAS-UHFFFAOYSA-N
XLogP2.40
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.62
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Pyridinamine, N-methyl-
CID 20727
N1,N1-Dimethyl-N2-2-pyridinyl-1,2-ethanediamine
CID 90273
1-(3-Fluoro-2-pyridinyl)piperazine
CID 134987
1-(3,5-Dichloropyridin-2-yl)piperazine
CID 2771431
Urea, 1-(2-chloroethyl)-3-(2-pyridyl)-
CID 98714
2-Amino-5-fluoropyridine
CID 2737701
2-Allylaminopyridine
CID 260916
N-(propan-2-yl)pyridin-2-amine
CID 2366450
N-Heptyl-2-pyridinamine
CID 212577
N1-(5-(trifluoromethyl)pyridin-2-yl)propane-1,3-diamine
CID 2987976
3,5-dichloro-N-methylpyridin-2-amine
CID 23423792
2-(4-Fluoroanilino)pyridine
CID 4307049

Frequently Asked Questions

What is the IUPAC name of N-(3-chloropropyl)-3,5-difluoropyridin-2-amine?
The IUPAC name of N-(3-chloropropyl)-3,5-difluoropyridin-2-amine (CID 112676550) is N-(3-chloropropyl)-3,5-difluoropyridin-2-amine.
What is the SMILES notation for N-(3-chloropropyl)-3,5-difluoropyridin-2-amine?
The canonical SMILES for N-(3-chloropropyl)-3,5-difluoropyridin-2-amine is Fc1cnc(NCCCCl)c(F)c1.
What is the InChIKey of N-(3-chloropropyl)-3,5-difluoropyridin-2-amine?
The InChIKey is BORCJXLYFWCHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClF2N2/c9-2-1-3-12-8-7(11)4-6(10)5-13-8/h4-5H,1-3H2,(H,12,13).
What are the key properties of N-(3-chloropropyl)-3,5-difluoropyridin-2-amine?
N-(3-chloropropyl)-3,5-difluoropyridin-2-amine has a molecular weight of 206.62 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloropropyl)-3,5-difluoropyridin-2-amine is sourced from PubChem (CID 112676550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).