N-butan-2-yl-5-chloro-3-fluoro-N-methylpyridin-2-amine

C10H14ClFN2 — CID 79728281

IUPACN-butan-2-yl-5-chloro-3-fluoro-N-methylpyridin-2-amine
SMILESCCC(C)N(C)c1ncc(Cl)cc1F
InChIInChI=1S/C10H14ClFN2/c1-4-7(2)14(3)10-9(12)5-8(11)6-13-10/h5-7H,4H2,1-3H3
InChIKeyLCOMUOGUCWTQNL-UHFFFAOYSA-N
MW216.69 g/mol
LogP3.11
Rot. Bonds3

About N-butan-2-yl-5-chloro-3-fluoro-N-methylpyridin-2-amine

N-butan-2-yl-5-chloro-3-fluoro-N-methylpyridin-2-amine (PubChem CID 79728281) has the molecular formula C10H14ClFN2 and a molecular weight of 216.69 g/mol. Its IUPAC name is N-butan-2-yl-5-chloro-3-fluoro-N-methylpyridin-2-amine.

Molecular Properties

Compound NameN-butan-2-yl-5-chloro-3-fluoro-N-methylpyridin-2-amine
PubChem CID79728281
Molecular FormulaC10H14ClFN2
Molecular Weight216.69 g/mol
Exact Mass216.08
IUPAC NameN-butan-2-yl-5-chloro-3-fluoro-N-methylpyridin-2-amine
SMILESCCC(C)N(C)c1ncc(Cl)cc1F
InChIInChI=1S/C10H14ClFN2/c1-4-7(2)14(3)10-9(12)5-8(11)6-13-10/h5-7H,4H2,1-3H3
InChIKeyLCOMUOGUCWTQNL-UHFFFAOYSA-N
XLogP3.11
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.69
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-bromopropan-2-yl)-5-chloro-3-fluoro-N-methylpyridin-2-amine
CID 104555270
3-N-(5-chloro-3-fluoro-2-pyridinyl)-3-N-methylbutane-1,3-diamine
CID 79718360
5-chloro-3-fluoro-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridin-2-amine
CID 112551382
N-butan-2-yl-2-chloro-5-fluoro-N-methylpyrimidin-4-amine
CID 79081539
5-chloro-N-(4-ethylcyclohexyl)-3-fluoro-N-methylpyridin-2-amine
CID 79727276
3-bromo-N-(1-bromopropan-2-yl)-5-chloro-N-methylpyridin-2-amine
CID 114838597
5-chloro-N-(4-ethylphenyl)-3-fluoro-N-methylpyridin-2-amine
CID 79728090
5-chloro-N-(cyclopropylmethyl)-3-fluoro-N-methylpyridin-2-amine
CID 79727577
3-bromo-5-chloro-N-methyl-N-(4-methylpentan-2-yl)pyridin-2-amine
CID 114836921
5-chloro-N-ethyl-3-fluoro-N-(2-methylprop-2-enyl)pyridin-2-amine
CID 79727979
3-bromo-N-butan-2-yl-5-chloro-N-ethylpyridin-2-amine
CID 114836698
methyl 2-[(5-chloro-3-fluoro-2-pyridinyl)-methylamino]acetate
CID 79734650

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-5-chloro-3-fluoro-N-methylpyridin-2-amine?
The IUPAC name of N-butan-2-yl-5-chloro-3-fluoro-N-methylpyridin-2-amine (CID 79728281) is N-butan-2-yl-5-chloro-3-fluoro-N-methylpyridin-2-amine.
What is the SMILES notation for N-butan-2-yl-5-chloro-3-fluoro-N-methylpyridin-2-amine?
The canonical SMILES for N-butan-2-yl-5-chloro-3-fluoro-N-methylpyridin-2-amine is CCC(C)N(C)c1ncc(Cl)cc1F.
What is the InChIKey of N-butan-2-yl-5-chloro-3-fluoro-N-methylpyridin-2-amine?
The InChIKey is LCOMUOGUCWTQNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClFN2/c1-4-7(2)14(3)10-9(12)5-8(11)6-13-10/h5-7H,4H2,1-3H3.
What are the key properties of N-butan-2-yl-5-chloro-3-fluoro-N-methylpyridin-2-amine?
N-butan-2-yl-5-chloro-3-fluoro-N-methylpyridin-2-amine has a molecular weight of 216.69 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-5-chloro-3-fluoro-N-methylpyridin-2-amine is sourced from PubChem (CID 79728281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).