5-chloro-2,6-difluoropyridine-3,4-diamine

C5H4ClF2N3 — CID 22284051

IUPAC5-chloro-2,6-difluoropyridine-3,4-diamine
SMILESNc1c(F)nc(F)c(Cl)c1N
InChIInChI=1S/C5H4ClF2N3/c6-1-2(9)3(10)5(8)11-4(1)7/h10H2,(H2,9,11)
InChIKeyHTINXZSKCFWOIM-UHFFFAOYSA-N
MW179.56 g/mol
LogP1.18
Rot. Bonds

About 5-chloro-2,6-difluoropyridine-3,4-diamine

5-chloro-2,6-difluoropyridine-3,4-diamine (PubChem CID 22284051) has the molecular formula C5H4ClF2N3 and a molecular weight of 179.56 g/mol. Its IUPAC name is 5-chloro-2,6-difluoropyridine-3,4-diamine.

Molecular Properties

Compound Name5-chloro-2,6-difluoropyridine-3,4-diamine
PubChem CID22284051
Molecular FormulaC5H4ClF2N3
Molecular Weight179.56 g/mol
Exact Mass179.01
IUPAC Name5-chloro-2,6-difluoropyridine-3,4-diamine
SMILESNc1c(F)nc(F)c(Cl)c1N
InChIInChI=1S/C5H4ClF2N3/c6-1-2(9)3(10)5(8)11-4(1)7/h10H2,(H2,9,11)
InChIKeyHTINXZSKCFWOIM-UHFFFAOYSA-N
XLogP1.18
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.56
LogP ≤ 51.18
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

3,5-dichloro-2,6-difluoro-4-methylpyridine
CID 54345490
5-chloro-2,4,6-trifluoropyrimidine;methane
CID 162065377
3,5-dichloro-2-fluoro-6-(2-methylpropoxy)pyridin-4-amine
CID 166995843
1,1,1,2,3,3,3-heptadeuteriopropan-2-yl 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetate
CID 169440678
(3R)-3-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]butanoic acid
CID 171060276
2-methylpropyl 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetate
CID 167082543
propyl 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetate
CID 167082569
5-chloro-4,6-difluoro-1H-pyrimidin-2-one
CID 118548236
4-chloro-1-(3,5-dichloro-2,6-difluoro-4-pyridinyl)pyrrolidin-2-one
CID 168688905
6-chloro-4-(difluoromethyl)-2-fluoropyridin-3-amine
CID 130102458
2,2-difluoroethyl (2R)-2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]propanoate
CID 164930241
2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentachlorophenyl)pyridine
CID 133090102

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2,6-difluoropyridine-3,4-diamine?
The IUPAC name of 5-chloro-2,6-difluoropyridine-3,4-diamine (CID 22284051) is 5-chloro-2,6-difluoropyridine-3,4-diamine.
What is the SMILES notation for 5-chloro-2,6-difluoropyridine-3,4-diamine?
The canonical SMILES for 5-chloro-2,6-difluoropyridine-3,4-diamine is Nc1c(F)nc(F)c(Cl)c1N.
What is the InChIKey of 5-chloro-2,6-difluoropyridine-3,4-diamine?
The InChIKey is HTINXZSKCFWOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClF2N3/c6-1-2(9)3(10)5(8)11-4(1)7/h10H2,(H2,9,11).
What are the key properties of 5-chloro-2,6-difluoropyridine-3,4-diamine?
5-chloro-2,6-difluoropyridine-3,4-diamine has a molecular weight of 179.56 g/mol, XLogP of 1.18, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2,6-difluoropyridine-3,4-diamine is sourced from PubChem (CID 22284051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).