(3-chloro-4-methylthiophen-2-yl)-(5-fluoro-3-pyridinyl)methanamine

C11H10ClFN2S — CID 103405312

IUPAC(3-chloro-4-methylthiophen-2-yl)-(5-fluoro-3-pyridinyl)methanamine
SMILESCc1csc(C(N)c2cncc(F)c2)c1Cl
InChIInChI=1S/C11H10ClFN2S/c1-6-5-16-11(9(6)12)10(14)7-2-8(13)4-15-3-7/h2-5,10H,14H2,1H3
InChIKeyHQVLQNIRSREGLT-UHFFFAOYSA-N
MW256.73 g/mol
LogP3.29
Rot. Bonds2

About (3-chloro-4-methylthiophen-2-yl)-(5-fluoro-3-pyridinyl)methanamine

(3-chloro-4-methylthiophen-2-yl)-(5-fluoro-3-pyridinyl)methanamine (PubChem CID 103405312) has the molecular formula C11H10ClFN2S and a molecular weight of 256.73 g/mol. Its IUPAC name is (3-chloro-4-methylthiophen-2-yl)-(5-fluoro-3-pyridinyl)methanamine.

Molecular Properties

Compound Name(3-chloro-4-methylthiophen-2-yl)-(5-fluoro-3-pyridinyl)methanamine
PubChem CID103405312
Molecular FormulaC11H10ClFN2S
Molecular Weight256.73 g/mol
Exact Mass256.02
IUPAC Name(3-chloro-4-methylthiophen-2-yl)-(5-fluoro-3-pyridinyl)methanamine
SMILESCc1csc(C(N)c2cncc(F)c2)c1Cl
InChIInChI=1S/C11H10ClFN2S/c1-6-5-16-11(9(6)12)10(14)7-2-8(13)4-15-3-7/h2-5,10H,14H2,1H3
InChIKeyHQVLQNIRSREGLT-UHFFFAOYSA-N
XLogP3.29
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-chloro-4-methylthiophen-2-yl)-(5-fluoro-3-pyridinyl)methanol
CID 103407834
(3-chloro-4-methylthiophen-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methanamine
CID 103407087
(3-chloro-4-methylthiophen-2-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
CID 107291796
(3-chloro-4-methylthiophen-2-yl)-[3-(trifluoromethyl)phenyl]methanamine
CID 103405830
(3-chloro-4-methylthiophen-2-yl)-(5-fluoro-1-benzofuran-2-yl)methanamine
CID 103407460
(5-fluoro-3-pyridinyl)-(4-propylthiadiazol-5-yl)methanamine
CID 105102650
(3-chloro-4-methylthiophen-2-yl)-(2,3,4-trifluorophenyl)methanamine
CID 103405997
[(2-chloro-3-methylphenyl)-(5-fluoro-3-pyridinyl)methyl]hydrazine
CID 105288165
(3,5-dichloro-2-pyridinyl)-(5-fluoro-3-pyridinyl)methanamine
CID 79780714
(4-bromo-2,5-dimethylphenyl)-(3-chloro-4-methylthiophen-2-yl)methanamine
CID 103401154
5-[amino-(3-chloro-4-methylthiophen-2-yl)methyl]-3,3-dimethyl-1H-indol-2-one
CID 103401270
(3-chloro-4-methylthiophen-2-yl)-[4-(2-methylbutan-2-yl)phenyl]methanamine
CID 103401213

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-methylthiophen-2-yl)-(5-fluoro-3-pyridinyl)methanamine?
The IUPAC name of (3-chloro-4-methylthiophen-2-yl)-(5-fluoro-3-pyridinyl)methanamine (CID 103405312) is (3-chloro-4-methylthiophen-2-yl)-(5-fluoro-3-pyridinyl)methanamine.
What is the SMILES notation for (3-chloro-4-methylthiophen-2-yl)-(5-fluoro-3-pyridinyl)methanamine?
The canonical SMILES for (3-chloro-4-methylthiophen-2-yl)-(5-fluoro-3-pyridinyl)methanamine is Cc1csc(C(N)c2cncc(F)c2)c1Cl.
What is the InChIKey of (3-chloro-4-methylthiophen-2-yl)-(5-fluoro-3-pyridinyl)methanamine?
The InChIKey is HQVLQNIRSREGLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN2S/c1-6-5-16-11(9(6)12)10(14)7-2-8(13)4-15-3-7/h2-5,10H,14H2,1H3.
What are the key properties of (3-chloro-4-methylthiophen-2-yl)-(5-fluoro-3-pyridinyl)methanamine?
(3-chloro-4-methylthiophen-2-yl)-(5-fluoro-3-pyridinyl)methanamine has a molecular weight of 256.73 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-methylthiophen-2-yl)-(5-fluoro-3-pyridinyl)methanamine is sourced from PubChem (CID 103405312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).