2-chloro-6-(3,3-difluoropropylamino)pyridine-4-carbonitrile

C9H8ClF2N3 — CID 130839313

IUPAC2-chloro-6-(3,3-difluoropropylamino)pyridine-4-carbonitrile
SMILESN#Cc1cc(Cl)nc(NCCC(F)F)c1
InChIInChI=1S/C9H8ClF2N3/c10-7-3-6(5-13)4-9(15-7)14-2-1-8(11)12/h3-4,8H,1-2H2,(H,14,15)
InChIKeyMROVHHYTIOCKSK-UHFFFAOYSA-N
MW231.63 g/mol
LogP2.67
Rot. Bonds4

About 2-chloro-6-(3,3-difluoropropylamino)pyridine-4-carbonitrile

2-chloro-6-(3,3-difluoropropylamino)pyridine-4-carbonitrile (PubChem CID 130839313) has the molecular formula C9H8ClF2N3 and a molecular weight of 231.63 g/mol. Its IUPAC name is 2-chloro-6-(3,3-difluoropropylamino)pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-chloro-6-(3,3-difluoropropylamino)pyridine-4-carbonitrile
PubChem CID130839313
Molecular FormulaC9H8ClF2N3
Molecular Weight231.63 g/mol
Exact Mass231.04
IUPAC Name2-chloro-6-(3,3-difluoropropylamino)pyridine-4-carbonitrile
SMILESN#Cc1cc(Cl)nc(NCCC(F)F)c1
InChIInChI=1S/C9H8ClF2N3/c10-7-3-6(5-13)4-9(15-7)14-2-1-8(11)12/h3-4,8H,1-2H2,(H,14,15)
InChIKeyMROVHHYTIOCKSK-UHFFFAOYSA-N
XLogP2.67
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.63
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-6-(3-hydroxybutylamino)pyridine-4-carbonitrile
CID 83077171
2-chloro-6-[(3-hydroxy-4-methoxybutyl)amino]pyridine-4-carbonitrile
CID 106248382
2-chloro-6-[2-[di(propan-2-yl)amino]ethylamino]pyridine-4-carbonitrile
CID 83073946
2-chloro-6-(6-hydroxyhexylamino)pyridine-4-carbonitrile
CID 107854040
2-(butan-2-ylamino)-6-chloropyridine-4-carbonitrile
CID 83072944
2-chloro-6-[2-(4-methoxyphenyl)ethylamino]pyridine-4-carbonitrile
CID 83074583
2-chloro-6-(2-methylprop-2-enylamino)pyridine-4-carbonitrile
CID 106196714
2-(2-bromoprop-2-enylamino)-6-chloropyridine-4-carbonitrile
CID 106195561
2-chloro-6-[(4-chlorophenyl)methylamino]pyridine-4-carbonitrile
CID 83074582
2-chloro-6-(3,3-dichloroprop-2-enylamino)pyridine-4-carbonitrile
CID 164646266
2-chloro-6-(2-thiophen-3-ylethylamino)pyridine-4-carbonitrile
CID 83074490
2-chloro-6-[2-(2-methylprop-2-enoxy)ethylamino]pyridine-4-carbonitrile
CID 106196869

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(3,3-difluoropropylamino)pyridine-4-carbonitrile?
The IUPAC name of 2-chloro-6-(3,3-difluoropropylamino)pyridine-4-carbonitrile (CID 130839313) is 2-chloro-6-(3,3-difluoropropylamino)pyridine-4-carbonitrile.
What is the SMILES notation for 2-chloro-6-(3,3-difluoropropylamino)pyridine-4-carbonitrile?
The canonical SMILES for 2-chloro-6-(3,3-difluoropropylamino)pyridine-4-carbonitrile is N#Cc1cc(Cl)nc(NCCC(F)F)c1.
What is the InChIKey of 2-chloro-6-(3,3-difluoropropylamino)pyridine-4-carbonitrile?
The InChIKey is MROVHHYTIOCKSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClF2N3/c10-7-3-6(5-13)4-9(15-7)14-2-1-8(11)12/h3-4,8H,1-2H2,(H,14,15).
What are the key properties of 2-chloro-6-(3,3-difluoropropylamino)pyridine-4-carbonitrile?
2-chloro-6-(3,3-difluoropropylamino)pyridine-4-carbonitrile has a molecular weight of 231.63 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(3,3-difluoropropylamino)pyridine-4-carbonitrile is sourced from PubChem (CID 130839313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).