(S)-(4-chloro-3-fluorophenyl)-(3-fluoro-2-pyridinyl)methanamine

C12H9ClF2N2 — CID 71165432

IUPAC(S)-(4-chloro-3-fluorophenyl)-(3-fluoro-2-pyridinyl)methanamine
SMILESN[C@@H](c1ccc(Cl)c(F)c1)c1ncccc1F
InChIInChI=1S/C12H9ClF2N2/c13-8-4-3-7(6-10(8)15)11(16)12-9(14)2-1-5-17-12/h1-6,11H,16H2/t11-/m0/s1
InChIKeyYSXCASOXWDUZIM-NSHDSACASA-N
MW254.67 g/mol
LogP3.06
Rot. Bonds2

About (S)-(4-chloro-3-fluorophenyl)-(3-fluoro-2-pyridinyl)methanamine

(S)-(4-chloro-3-fluorophenyl)-(3-fluoro-2-pyridinyl)methanamine (PubChem CID 71165432) has the molecular formula C12H9ClF2N2 and a molecular weight of 254.67 g/mol. Its IUPAC name is (S)-(4-chloro-3-fluorophenyl)-(3-fluoro-2-pyridinyl)methanamine.

Molecular Properties

Compound Name(S)-(4-chloro-3-fluorophenyl)-(3-fluoro-2-pyridinyl)methanamine
PubChem CID71165432
Molecular FormulaC12H9ClF2N2
Molecular Weight254.67 g/mol
Exact Mass254.04
IUPAC Name(S)-(4-chloro-3-fluorophenyl)-(3-fluoro-2-pyridinyl)methanamine
SMILESN[C@@H](c1ccc(Cl)c(F)c1)c1ncccc1F
InChIInChI=1S/C12H9ClF2N2/c13-8-4-3-7(6-10(8)15)11(16)12-9(14)2-1-5-17-12/h1-6,11H,16H2/t11-/m0/s1
InChIKeyYSXCASOXWDUZIM-NSHDSACASA-N
XLogP3.06
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.67
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-chloro-3-fluorophenyl)-(3,4-dichlorophenyl)methanamine
CID 107991698
(S)-(3-fluoro-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methanamine
CID 71144280
(4-chloro-3-fluorophenyl)-(3,4-difluorophenyl)methanamine
CID 114025088
(3-fluoro-2-pyridinyl)-(4-methoxyphenyl)methanamine
CID 78018909
(4-chloro-3-fluorophenyl)-(furan-2-yl)methanamine
CID 107993178
4-chloro-N-[(S)-(4-chloro-3-fluorophenyl)-(3-chloro-2-pyridinyl)methyl]-3-fluorobenzamide
CID 130288176
(4-chloro-3-fluorophenyl)-(2-chlorophenyl)methanamine
CID 114024968
[(4-chlorophenyl)-(3-fluoro-2-pyridinyl)methyl]hydrazine
CID 105257806
(3-chloro-2-pyridinyl)-quinolin-7-ylmethanamine
CID 103443918
(3-cyclobutylphenyl)-(3-fluoro-2-pyridinyl)methanamine
CID 114604283
(4-cyclobutylphenyl)-(3-fluoro-2-pyridinyl)methanamine
CID 116506384
(4-chloro-3-fluorophenyl)-(3-fluoro-4-methylphenyl)methanamine
CID 107996089

Frequently Asked Questions

What is the IUPAC name of (S)-(4-chloro-3-fluorophenyl)-(3-fluoro-2-pyridinyl)methanamine?
The IUPAC name of (S)-(4-chloro-3-fluorophenyl)-(3-fluoro-2-pyridinyl)methanamine (CID 71165432) is (S)-(4-chloro-3-fluorophenyl)-(3-fluoro-2-pyridinyl)methanamine.
What is the SMILES notation for (S)-(4-chloro-3-fluorophenyl)-(3-fluoro-2-pyridinyl)methanamine?
The canonical SMILES for (S)-(4-chloro-3-fluorophenyl)-(3-fluoro-2-pyridinyl)methanamine is N[C@@H](c1ccc(Cl)c(F)c1)c1ncccc1F.
What is the InChIKey of (S)-(4-chloro-3-fluorophenyl)-(3-fluoro-2-pyridinyl)methanamine?
The InChIKey is YSXCASOXWDUZIM-NSHDSACASA-N. The full InChI is InChI=1S/C12H9ClF2N2/c13-8-4-3-7(6-10(8)15)11(16)12-9(14)2-1-5-17-12/h1-6,11H,16H2/t11-/m0/s1.
What are the key properties of (S)-(4-chloro-3-fluorophenyl)-(3-fluoro-2-pyridinyl)methanamine?
(S)-(4-chloro-3-fluorophenyl)-(3-fluoro-2-pyridinyl)methanamine has a molecular weight of 254.67 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(4-chloro-3-fluorophenyl)-(3-fluoro-2-pyridinyl)methanamine is sourced from PubChem (CID 71165432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).