(2-chloro-3-fluorophenyl)-(5-methyl-3-pyridinyl)methanamine

C13H12ClFN2 — CID 105023063

IUPAC(2-chloro-3-fluorophenyl)-(5-methyl-3-pyridinyl)methanamine
SMILESCc1cncc(C(N)c2cccc(F)c2Cl)c1
InChIInChI=1S/C13H12ClFN2/c1-8-5-9(7-17-6-8)13(16)10-3-2-4-11(15)12(10)14/h2-7,13H,16H2,1H3
InChIKeyVRLMKYJEUPTVIE-UHFFFAOYSA-N
MW250.70 g/mol
LogP3.23
Rot. Bonds2

About (2-chloro-3-fluorophenyl)-(5-methyl-3-pyridinyl)methanamine

(2-chloro-3-fluorophenyl)-(5-methyl-3-pyridinyl)methanamine (PubChem CID 105023063) has the molecular formula C13H12ClFN2 and a molecular weight of 250.70 g/mol. Its IUPAC name is (2-chloro-3-fluorophenyl)-(5-methyl-3-pyridinyl)methanamine.

Molecular Properties

Compound Name(2-chloro-3-fluorophenyl)-(5-methyl-3-pyridinyl)methanamine
PubChem CID105023063
Molecular FormulaC13H12ClFN2
Molecular Weight250.70 g/mol
Exact Mass250.07
IUPAC Name(2-chloro-3-fluorophenyl)-(5-methyl-3-pyridinyl)methanamine
SMILESCc1cncc(C(N)c2cccc(F)c2Cl)c1
InChIInChI=1S/C13H12ClFN2/c1-8-5-9(7-17-6-8)13(16)10-3-2-4-11(15)12(10)14/h2-7,13H,16H2,1H3
InChIKeyVRLMKYJEUPTVIE-UHFFFAOYSA-N
XLogP3.23
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.70
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-chloro-3-fluorophenyl)-pyridin-3-ylmethanamine
CID 115799417
(2-bromophenyl)-(5-methyl-3-pyridinyl)methanamine
CID 115374409
(2-chloro-3-fluorophenyl)-(4-chlorophenyl)methanamine
CID 81454943
(2-chloro-3-fluorophenyl)-(3,4-difluorophenyl)methanamine
CID 81454139
(2-chloro-3-fluorophenyl)-(3-fluorophenyl)methanamine
CID 115791995
(5-fluoro-2-methylphenyl)-(5-methyl-3-pyridinyl)methanamine
CID 113297192
(4-fluoro-2-methylphenyl)-(5-methyl-3-pyridinyl)methanamine
CID 113297299
(2-chloro-3-fluorophenyl)-(2,4,5-trimethylphenyl)methanamine
CID 104990549
(4-bromophenyl)-(2-chloro-3-fluorophenyl)methanamine
CID 81454944
(4-fluorophenyl)-(5-methyl-3-pyridinyl)methanamine
CID 115374243
(3,5-dichlorophenyl)-(5-methyl-3-pyridinyl)methanamine
CID 105023142
(2-chloro-3-fluorophenyl)-(5-fluoro-3-pyridinyl)methanol
CID 114981130

Frequently Asked Questions

What is the IUPAC name of (2-chloro-3-fluorophenyl)-(5-methyl-3-pyridinyl)methanamine?
The IUPAC name of (2-chloro-3-fluorophenyl)-(5-methyl-3-pyridinyl)methanamine (CID 105023063) is (2-chloro-3-fluorophenyl)-(5-methyl-3-pyridinyl)methanamine.
What is the SMILES notation for (2-chloro-3-fluorophenyl)-(5-methyl-3-pyridinyl)methanamine?
The canonical SMILES for (2-chloro-3-fluorophenyl)-(5-methyl-3-pyridinyl)methanamine is Cc1cncc(C(N)c2cccc(F)c2Cl)c1.
What is the InChIKey of (2-chloro-3-fluorophenyl)-(5-methyl-3-pyridinyl)methanamine?
The InChIKey is VRLMKYJEUPTVIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2/c1-8-5-9(7-17-6-8)13(16)10-3-2-4-11(15)12(10)14/h2-7,13H,16H2,1H3.
What are the key properties of (2-chloro-3-fluorophenyl)-(5-methyl-3-pyridinyl)methanamine?
(2-chloro-3-fluorophenyl)-(5-methyl-3-pyridinyl)methanamine has a molecular weight of 250.70 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-3-fluorophenyl)-(5-methyl-3-pyridinyl)methanamine is sourced from PubChem (CID 105023063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).