6-chloro-5-(difluoromethyl)-N-propan-2-ylpyridazin-3-amine

C8H10ClF2N3 — CID 176980789

IUPAC6-chloro-5-(difluoromethyl)-N-propan-2-ylpyridazin-3-amine
SMILESCC(C)Nc1cc(C(F)F)c(Cl)nn1
InChIInChI=1S/C8H10ClF2N3/c1-4(2)12-6-3-5(8(10)11)7(9)14-13-6/h3-4,8H,1-2H3,(H,12,13)
InChIKeyJSGCDNIJUBQJRA-UHFFFAOYSA-N
MW221.64 g/mol
LogP2.89
Rot. Bonds3

About 6-chloro-5-(difluoromethyl)-N-propan-2-ylpyridazin-3-amine

6-chloro-5-(difluoromethyl)-N-propan-2-ylpyridazin-3-amine (PubChem CID 176980789) has the molecular formula C8H10ClF2N3 and a molecular weight of 221.64 g/mol. Its IUPAC name is 6-chloro-5-(difluoromethyl)-N-propan-2-ylpyridazin-3-amine.

Molecular Properties

Compound Name6-chloro-5-(difluoromethyl)-N-propan-2-ylpyridazin-3-amine
PubChem CID176980789
Molecular FormulaC8H10ClF2N3
Molecular Weight221.64 g/mol
Exact Mass221.05
IUPAC Name6-chloro-5-(difluoromethyl)-N-propan-2-ylpyridazin-3-amine
SMILESCC(C)Nc1cc(C(F)F)c(Cl)nn1
InChIInChI=1S/C8H10ClF2N3/c1-4(2)12-6-3-5(8(10)11)7(9)14-13-6/h3-4,8H,1-2H3,(H,12,13)
InChIKeyJSGCDNIJUBQJRA-UHFFFAOYSA-N
XLogP2.89
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.64
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(difluoromethyl)-N-propan-2-yl-1H-pyrazol-3-amine
CID 169237360
2-chloro-3-(difluoromethyl)-6-iodo-5-methylpyridine
CID 119010207
2-chloro-3-(difluoromethyl)-5-ethylpyridine
CID 105445604
6-chloro-5-(difluoromethyl)-2-fluoropyridin-3-amine
CID 130102456
2-chloro-3-(difluoromethyl)-6-propan-2-ylpyridine
CID 105458279
2-chloro-6-methyl-N-propan-2-ylpyrimidin-4-amine
CID 53385561
N-propan-2-ylthieno[3,2-c]pyridazin-3-amine
CID 58584193
5-chloro-4-methyl-N-propan-2-ylpyridin-2-amine
CID 58542754
6-chloro-2-methylsulfonyl-N-propan-2-ylpyrimidin-4-amine
CID 23042428
6-chloro-5-(difluoromethyl)-3-nitropyridin-2-amine
CID 119012355
2,4,6-trichloro-N-propan-2-ylaniline
CID 28992463
2-chloro-3-(difluoromethyl)-5-fluoro-6-(trifluoromethyl)pyridine
CID 130071827

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-(difluoromethyl)-N-propan-2-ylpyridazin-3-amine?
The IUPAC name of 6-chloro-5-(difluoromethyl)-N-propan-2-ylpyridazin-3-amine (CID 176980789) is 6-chloro-5-(difluoromethyl)-N-propan-2-ylpyridazin-3-amine.
What is the SMILES notation for 6-chloro-5-(difluoromethyl)-N-propan-2-ylpyridazin-3-amine?
The canonical SMILES for 6-chloro-5-(difluoromethyl)-N-propan-2-ylpyridazin-3-amine is CC(C)Nc1cc(C(F)F)c(Cl)nn1.
What is the InChIKey of 6-chloro-5-(difluoromethyl)-N-propan-2-ylpyridazin-3-amine?
The InChIKey is JSGCDNIJUBQJRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClF2N3/c1-4(2)12-6-3-5(8(10)11)7(9)14-13-6/h3-4,8H,1-2H3,(H,12,13).
What are the key properties of 6-chloro-5-(difluoromethyl)-N-propan-2-ylpyridazin-3-amine?
6-chloro-5-(difluoromethyl)-N-propan-2-ylpyridazin-3-amine has a molecular weight of 221.64 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-(difluoromethyl)-N-propan-2-ylpyridazin-3-amine is sourced from PubChem (CID 176980789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).