3-[amino-(5-chloro-2-fluorophenyl)methyl]-4-methylpyridin-2-amine

C13H13ClFN3 — CID 114886010

IUPAC3-[amino-(5-chloro-2-fluorophenyl)methyl]-4-methylpyridin-2-amine
SMILESCc1ccnc(N)c1C(N)c1cc(Cl)ccc1F
InChIInChI=1S/C13H13ClFN3/c1-7-4-5-18-13(17)11(7)12(16)9-6-8(14)2-3-10(9)15/h2-6,12H,16H2,1H3,(H2,17,18)
InChIKeyIZGYEZQKBOHITD-UHFFFAOYSA-N
MW265.72 g/mol
LogP2.81
Rot. Bonds2

About 3-[amino-(5-chloro-2-fluorophenyl)methyl]-4-methylpyridin-2-amine

3-[amino-(5-chloro-2-fluorophenyl)methyl]-4-methylpyridin-2-amine (PubChem CID 114886010) has the molecular formula C13H13ClFN3 and a molecular weight of 265.72 g/mol. Its IUPAC name is 3-[amino-(5-chloro-2-fluorophenyl)methyl]-4-methylpyridin-2-amine.

Molecular Properties

Compound Name3-[amino-(5-chloro-2-fluorophenyl)methyl]-4-methylpyridin-2-amine
PubChem CID114886010
Molecular FormulaC13H13ClFN3
Molecular Weight265.72 g/mol
Exact Mass265.08
IUPAC Name3-[amino-(5-chloro-2-fluorophenyl)methyl]-4-methylpyridin-2-amine
SMILESCc1ccnc(N)c1C(N)c1cc(Cl)ccc1F
InChIInChI=1S/C13H13ClFN3/c1-7-4-5-18-13(17)11(7)12(16)9-6-8(14)2-3-10(9)15/h2-6,12H,16H2,1H3,(H2,17,18)
InChIKeyIZGYEZQKBOHITD-UHFFFAOYSA-N
XLogP2.81
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.72
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[amino-(4-chloro-2-methoxyphenyl)methyl]-4-methylpyridin-2-amine
CID 106819441
3-[(5-chloro-2-fluorophenyl)-(propylamino)methyl]-4-methylpyridin-2-amine
CID 114886614
(5-chloro-2-fluorophenyl)-(4-fluoro-3-methylphenyl)methanamine
CID 79746385
(5-chloro-2-fluorophenyl)-(2-methoxy-4,6-dimethylphenyl)methanamine
CID 106680991
(5-chloro-2-fluorophenyl)-(2,6-dimethoxyphenyl)methanamine
CID 114885870
(5-chloro-2-fluorophenyl)-(2,5-dichlorophenyl)methanamine
CID 43344675
(5-chloro-2-fluorophenyl)-(4-propan-2-ylphenyl)methanamine
CID 43625242
(2-amino-4-methyl-3-pyridinyl)-(2-fluoro-4-methoxyphenyl)methanol
CID 81305114
(4-chloro-2-fluorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanamine
CID 43107900
(2-fluoro-5-methylphenyl)-(2,4,6-trimethylphenyl)methanamine
CID 62515845
5-chloro-2-(3-fluoro-4-methyl-2-pyridinyl)phenol
CID 177205307
3-[(3-fluoro-4-pyridinyl)-hydrazinylmethyl]-4-methylpyridin-2-amine
CID 105258705

Frequently Asked Questions

What is the IUPAC name of 3-[amino-(5-chloro-2-fluorophenyl)methyl]-4-methylpyridin-2-amine?
The IUPAC name of 3-[amino-(5-chloro-2-fluorophenyl)methyl]-4-methylpyridin-2-amine (CID 114886010) is 3-[amino-(5-chloro-2-fluorophenyl)methyl]-4-methylpyridin-2-amine.
What is the SMILES notation for 3-[amino-(5-chloro-2-fluorophenyl)methyl]-4-methylpyridin-2-amine?
The canonical SMILES for 3-[amino-(5-chloro-2-fluorophenyl)methyl]-4-methylpyridin-2-amine is Cc1ccnc(N)c1C(N)c1cc(Cl)ccc1F.
What is the InChIKey of 3-[amino-(5-chloro-2-fluorophenyl)methyl]-4-methylpyridin-2-amine?
The InChIKey is IZGYEZQKBOHITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFN3/c1-7-4-5-18-13(17)11(7)12(16)9-6-8(14)2-3-10(9)15/h2-6,12H,16H2,1H3,(H2,17,18).
What are the key properties of 3-[amino-(5-chloro-2-fluorophenyl)methyl]-4-methylpyridin-2-amine?
3-[amino-(5-chloro-2-fluorophenyl)methyl]-4-methylpyridin-2-amine has a molecular weight of 265.72 g/mol, XLogP of 2.81, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[amino-(5-chloro-2-fluorophenyl)methyl]-4-methylpyridin-2-amine is sourced from PubChem (CID 114886010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).