5-chloro-3-fluoro-4-methyl-N-propan-2-ylpyridin-2-amine

C9H12ClFN2 — CID 58542962

IUPAC5-chloro-3-fluoro-4-methyl-N-propan-2-ylpyridin-2-amine
SMILESCc1c(Cl)cnc(NC(C)C)c1F
InChIInChI=1S/C9H12ClFN2/c1-5(2)13-9-8(11)6(3)7(10)4-12-9/h4-5H,1-3H3,(H,12,13)
InChIKeyVNBUTXQTTLRINR-UHFFFAOYSA-N
MW202.66 g/mol
LogP3.00
Rot. Bonds2

About 5-chloro-3-fluoro-4-methyl-N-propan-2-ylpyridin-2-amine

5-chloro-3-fluoro-4-methyl-N-propan-2-ylpyridin-2-amine (PubChem CID 58542962) has the molecular formula C9H12ClFN2 and a molecular weight of 202.66 g/mol. Its IUPAC name is 5-chloro-3-fluoro-4-methyl-N-propan-2-ylpyridin-2-amine.

Molecular Properties

Compound Name5-chloro-3-fluoro-4-methyl-N-propan-2-ylpyridin-2-amine
PubChem CID58542962
Molecular FormulaC9H12ClFN2
Molecular Weight202.66 g/mol
Exact Mass202.07
IUPAC Name5-chloro-3-fluoro-4-methyl-N-propan-2-ylpyridin-2-amine
SMILESCc1c(Cl)cnc(NC(C)C)c1F
InChIInChI=1S/C9H12ClFN2/c1-5(2)13-9-8(11)6(3)7(10)4-12-9/h4-5H,1-3H3,(H,12,13)
InChIKeyVNBUTXQTTLRINR-UHFFFAOYSA-N
XLogP3.00
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.66
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-Chloro-5-(trifluoromethyl)-2-pyridinamine
CID 607248
(4-Chloro-benzyl)-(4-methyl-pyridin-2-yl)-amine
CID 975620
1-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)-1,4-diazepane
CID 735734
3,5-Dichloro-4-methylpyridin-2-amine
CID 318187
1-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)piperazine
CID 667619
3,5-dichloro-N-methylpyridin-2-amine
CID 23423792
2-Amino-5-chloro-3-methylpyridine
CID 350232
N~1~-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N~3~,N~3~-dimethyl-1,3-propanediamine
CID 3755918
1-(3-Chloro-4-methyl-pyridin-2-yl)-piperazine
CID 44292470
3,5-dichloro-N-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)pyridin-2-amine;hydrochloride
CID 44523105
5-[(E)-2-(2-chloro-6-fluorophenyl)ethenyl]-N-methylpyridin-2-amine
CID 118707603
Guanidine, 1-tert-butyl-3-(5-chloro-2-pyridyl)-2-cyano-
CID 48877

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-fluoro-4-methyl-N-propan-2-ylpyridin-2-amine?
The IUPAC name of 5-chloro-3-fluoro-4-methyl-N-propan-2-ylpyridin-2-amine (CID 58542962) is 5-chloro-3-fluoro-4-methyl-N-propan-2-ylpyridin-2-amine.
What is the SMILES notation for 5-chloro-3-fluoro-4-methyl-N-propan-2-ylpyridin-2-amine?
The canonical SMILES for 5-chloro-3-fluoro-4-methyl-N-propan-2-ylpyridin-2-amine is Cc1c(Cl)cnc(NC(C)C)c1F.
What is the InChIKey of 5-chloro-3-fluoro-4-methyl-N-propan-2-ylpyridin-2-amine?
The InChIKey is VNBUTXQTTLRINR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClFN2/c1-5(2)13-9-8(11)6(3)7(10)4-12-9/h4-5H,1-3H3,(H,12,13).
What are the key properties of 5-chloro-3-fluoro-4-methyl-N-propan-2-ylpyridin-2-amine?
5-chloro-3-fluoro-4-methyl-N-propan-2-ylpyridin-2-amine has a molecular weight of 202.66 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-fluoro-4-methyl-N-propan-2-ylpyridin-2-amine is sourced from PubChem (CID 58542962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).