6-chloro-2-N-[2-(2,2-difluoroethoxy)ethyl]pyridine-2,4-diamine

C9H12ClF2N3O — CID 103081629

IUPAC6-chloro-2-N-[2-(2,2-difluoroethoxy)ethyl]pyridine-2,4-diamine
SMILESNc1cc(Cl)nc(NCCOCC(F)F)c1
InChIInChI=1S/C9H12ClF2N3O/c10-7-3-6(13)4-9(15-7)14-1-2-16-5-8(11)12/h3-4,8H,1-2,5H2,(H3,13,14,15)
InChIKeyOPQQRXLPNPMGAT-UHFFFAOYSA-N
MW251.66 g/mol
LogP2.01
Rot. Bonds6

About 6-chloro-2-N-[2-(2,2-difluoroethoxy)ethyl]pyridine-2,4-diamine

6-chloro-2-N-[2-(2,2-difluoroethoxy)ethyl]pyridine-2,4-diamine (PubChem CID 103081629) has the molecular formula C9H12ClF2N3O and a molecular weight of 251.66 g/mol. Its IUPAC name is 6-chloro-2-N-[2-(2,2-difluoroethoxy)ethyl]pyridine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-[2-(2,2-difluoroethoxy)ethyl]pyridine-2,4-diamine
PubChem CID103081629
Molecular FormulaC9H12ClF2N3O
Molecular Weight251.66 g/mol
Exact Mass251.06
IUPAC Name6-chloro-2-N-[2-(2,2-difluoroethoxy)ethyl]pyridine-2,4-diamine
SMILESNc1cc(Cl)nc(NCCOCC(F)F)c1
InChIInChI=1S/C9H12ClF2N3O/c10-7-3-6(13)4-9(15-7)14-1-2-16-5-8(11)12/h3-4,8H,1-2,5H2,(H3,13,14,15)
InChIKeyOPQQRXLPNPMGAT-UHFFFAOYSA-N
XLogP2.01
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.66
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-2-N-(4-methoxybutyl)pyridine-2,4-diamine
CID 104923902
5-amino-3-chloro-2-[2-(2,2-difluoroethoxy)ethylamino]benzamide
CID 114128998
5-[(4-amino-6-chloro-2-pyridinyl)amino]-2-methylpentan-1-ol
CID 104925080
2-amino-6-chloro-N-[2-(2,2-difluoroethoxy)ethyl]pyridine-4-carboxamide
CID 103099339
6-chloro-2-N-[2-(3-fluorophenyl)ethyl]pyridine-2,4-diamine
CID 104923773
6-chloro-2-N-(cyclopropylmethyl)pyridine-2,4-diamine
CID 104918835
6-chloro-N-[2-(2-methylpropoxy)ethyl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 106768428
6-chloro-2-N-(2-prop-2-enylsulfanylethyl)pyridine-2,4-diamine
CID 104924087
N-[2-(2,2-difluoroethoxy)ethyl]pyrimidin-2-amine
CID 103081300
N-[2-(2,2-difluoroethoxy)ethyl]-4,6-dimethoxy-1,3,5-triazin-2-amine
CID 103081594
2-N-(2-bromoprop-2-enyl)-6-chloropyridine-2,4-diamine
CID 104924053
(2S)-1-[(4-amino-6-chloro-2-pyridinyl)amino]propan-2-ol
CID 126987917

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-[2-(2,2-difluoroethoxy)ethyl]pyridine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-[2-(2,2-difluoroethoxy)ethyl]pyridine-2,4-diamine (CID 103081629) is 6-chloro-2-N-[2-(2,2-difluoroethoxy)ethyl]pyridine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-[2-(2,2-difluoroethoxy)ethyl]pyridine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-[2-(2,2-difluoroethoxy)ethyl]pyridine-2,4-diamine is Nc1cc(Cl)nc(NCCOCC(F)F)c1.
What is the InChIKey of 6-chloro-2-N-[2-(2,2-difluoroethoxy)ethyl]pyridine-2,4-diamine?
The InChIKey is OPQQRXLPNPMGAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClF2N3O/c10-7-3-6(13)4-9(15-7)14-1-2-16-5-8(11)12/h3-4,8H,1-2,5H2,(H3,13,14,15).
What are the key properties of 6-chloro-2-N-[2-(2,2-difluoroethoxy)ethyl]pyridine-2,4-diamine?
6-chloro-2-N-[2-(2,2-difluoroethoxy)ethyl]pyridine-2,4-diamine has a molecular weight of 251.66 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-[2-(2,2-difluoroethoxy)ethyl]pyridine-2,4-diamine is sourced from PubChem (CID 103081629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).