5-chloro-N-(4,4-difluorobutan-2-yl)pyridin-2-amine

C9H11ClF2N2 — CID 130639953

IUPAC5-chloro-N-(4,4-difluorobutan-2-yl)pyridin-2-amine
SMILESCC(CC(F)F)Nc1ccc(Cl)cn1
InChIInChI=1S/C9H11ClF2N2/c1-6(4-8(11)12)14-9-3-2-7(10)5-13-9/h2-3,5-6,8H,4H2,1H3,(H,13,14)
InChIKeyQRXWBKXBIIWAFF-UHFFFAOYSA-N
MW220.65 g/mol
LogP3.19
Rot. Bonds4

About 5-chloro-N-(4,4-difluorobutan-2-yl)pyridin-2-amine

5-chloro-N-(4,4-difluorobutan-2-yl)pyridin-2-amine (PubChem CID 130639953) has the molecular formula C9H11ClF2N2 and a molecular weight of 220.65 g/mol. Its IUPAC name is 5-chloro-N-(4,4-difluorobutan-2-yl)pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-(4,4-difluorobutan-2-yl)pyridin-2-amine
PubChem CID130639953
Molecular FormulaC9H11ClF2N2
Molecular Weight220.65 g/mol
Exact Mass220.06
IUPAC Name5-chloro-N-(4,4-difluorobutan-2-yl)pyridin-2-amine
SMILESCC(CC(F)F)Nc1ccc(Cl)cn1
InChIInChI=1S/C9H11ClF2N2/c1-6(4-8(11)12)14-9-3-2-7(10)5-13-9/h2-3,5-6,8H,4H2,1H3,(H,13,14)
InChIKeyQRXWBKXBIIWAFF-UHFFFAOYSA-N
XLogP3.19
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.65
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-N-(5-methylhexan-2-yl)pyridin-2-amine
CID 63925701
5-chloro-N-(4-ethylsulfanylbutan-2-yl)pyridin-2-amine
CID 115744742
2-[(5-chloro-2-pyridinyl)amino]-4-methylpentan-1-ol
CID 61246447
N-[bis(phosphanyl)methyl]-5-chloropyridin-2-amine
CID 118465848
2-[(5-chloro-2-pyridinyl)amino]propane-1,3-diol
CID 65314143
5-chloro-N-hex-5-yn-3-ylpyridin-2-amine
CID 115658807
5-chloro-N-[1-(4-methylphenyl)ethyl]pyridin-2-amine
CID 54968175
5-chloro-N-hexan-3-ylpyridin-2-amine
CID 62117278
N-[1-(4-aminophenyl)ethyl]-5-chloropyridin-2-amine
CID 60870794
5-chloro-N-[1-(2,4-dichlorophenyl)ethyl]pyridin-2-amine
CID 43110954
5-chloro-N-(1-cyclohexylethyl)pyridin-2-amine
CID 62406315
5-chloro-N-(3-chlorobutyl)pyridin-2-amine
CID 65028422

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4,4-difluorobutan-2-yl)pyridin-2-amine?
The IUPAC name of 5-chloro-N-(4,4-difluorobutan-2-yl)pyridin-2-amine (CID 130639953) is 5-chloro-N-(4,4-difluorobutan-2-yl)pyridin-2-amine.
What is the SMILES notation for 5-chloro-N-(4,4-difluorobutan-2-yl)pyridin-2-amine?
The canonical SMILES for 5-chloro-N-(4,4-difluorobutan-2-yl)pyridin-2-amine is CC(CC(F)F)Nc1ccc(Cl)cn1.
What is the InChIKey of 5-chloro-N-(4,4-difluorobutan-2-yl)pyridin-2-amine?
The InChIKey is QRXWBKXBIIWAFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClF2N2/c1-6(4-8(11)12)14-9-3-2-7(10)5-13-9/h2-3,5-6,8H,4H2,1H3,(H,13,14).
What are the key properties of 5-chloro-N-(4,4-difluorobutan-2-yl)pyridin-2-amine?
5-chloro-N-(4,4-difluorobutan-2-yl)pyridin-2-amine has a molecular weight of 220.65 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4,4-difluorobutan-2-yl)pyridin-2-amine is sourced from PubChem (CID 130639953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).