(2,4-difluoro-5-methylphenyl)-(3-fluoro-4-pyridinyl)methanamine

C13H11F3N2 — CID 105038108

IUPAC(2,4-difluoro-5-methylphenyl)-(3-fluoro-4-pyridinyl)methanamine
SMILESCc1cc(C(N)c2ccncc2F)c(F)cc1F
InChIInChI=1S/C13H11F3N2/c1-7-4-9(11(15)5-10(7)14)13(17)8-2-3-18-6-12(8)16/h2-6,13H,17H2,1H3
InChIKeyRHURTPKDVWKLTO-UHFFFAOYSA-N
MW252.24 g/mol
LogP2.86
Rot. Bonds2

About (2,4-difluoro-5-methylphenyl)-(3-fluoro-4-pyridinyl)methanamine

(2,4-difluoro-5-methylphenyl)-(3-fluoro-4-pyridinyl)methanamine (PubChem CID 105038108) has the molecular formula C13H11F3N2 and a molecular weight of 252.24 g/mol. Its IUPAC name is (2,4-difluoro-5-methylphenyl)-(3-fluoro-4-pyridinyl)methanamine.

Molecular Properties

Compound Name(2,4-difluoro-5-methylphenyl)-(3-fluoro-4-pyridinyl)methanamine
PubChem CID105038108
Molecular FormulaC13H11F3N2
Molecular Weight252.24 g/mol
Exact Mass252.09
IUPAC Name(2,4-difluoro-5-methylphenyl)-(3-fluoro-4-pyridinyl)methanamine
SMILESCc1cc(C(N)c2ccncc2F)c(F)cc1F
InChIInChI=1S/C13H11F3N2/c1-7-4-9(11(15)5-10(7)14)13(17)8-2-3-18-6-12(8)16/h2-6,13H,17H2,1H3
InChIKeyRHURTPKDVWKLTO-UHFFFAOYSA-N
XLogP2.86
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.24
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,6-difluoro-3-methylphenyl)-(3-fluoro-4-pyridinyl)methanamine
CID 82822647
(3-fluoro-4-pyridinyl)-(2-iodo-3-methylphenyl)methanamine
CID 114030256
(2,4-dichlorophenyl)-(3-fluoro-4-pyridinyl)methanamine
CID 105038151
(3-fluoro-4-pyridinyl)-(5-methylpyrazin-2-yl)methanamine
CID 105182010
(2-chloro-5-fluorophenyl)-(2,4-difluoro-5-methylphenyl)methanamine
CID 105397363
(2-tert-butylphenyl)-(3-fluoro-4-pyridinyl)methanamine
CID 105038455
(2-bromo-5-fluorophenyl)-(2,4-difluoro-5-methylphenyl)methanamine
CID 79725047
(2-bromo-3-fluorophenyl)-(3-fluoro-4-pyridinyl)methanamine
CID 105038410
(3-fluoro-4-pyridinyl)-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 105181986
1-benzofuran-2-yl-(2,4-difluoro-5-methylphenyl)methanamine
CID 105043942
2-(3-fluoro-4-pyridinyl)propan-1-amine
CID 84649949
(4-fluoro-3-methoxyphenyl)-(3-fluoro-4-pyridinyl)methanamine
CID 105038146

Frequently Asked Questions

What is the IUPAC name of (2,4-difluoro-5-methylphenyl)-(3-fluoro-4-pyridinyl)methanamine?
The IUPAC name of (2,4-difluoro-5-methylphenyl)-(3-fluoro-4-pyridinyl)methanamine (CID 105038108) is (2,4-difluoro-5-methylphenyl)-(3-fluoro-4-pyridinyl)methanamine.
What is the SMILES notation for (2,4-difluoro-5-methylphenyl)-(3-fluoro-4-pyridinyl)methanamine?
The canonical SMILES for (2,4-difluoro-5-methylphenyl)-(3-fluoro-4-pyridinyl)methanamine is Cc1cc(C(N)c2ccncc2F)c(F)cc1F.
What is the InChIKey of (2,4-difluoro-5-methylphenyl)-(3-fluoro-4-pyridinyl)methanamine?
The InChIKey is RHURTPKDVWKLTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2/c1-7-4-9(11(15)5-10(7)14)13(17)8-2-3-18-6-12(8)16/h2-6,13H,17H2,1H3.
What are the key properties of (2,4-difluoro-5-methylphenyl)-(3-fluoro-4-pyridinyl)methanamine?
(2,4-difluoro-5-methylphenyl)-(3-fluoro-4-pyridinyl)methanamine has a molecular weight of 252.24 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluoro-5-methylphenyl)-(3-fluoro-4-pyridinyl)methanamine is sourced from PubChem (CID 105038108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).