(3-methyl-4-pyridinyl)-(1H-pyrrol-2-yl)methanamine

C11H13N3 — CID 130528114

IUPAC(3-methyl-4-pyridinyl)-(1H-pyrrol-2-yl)methanamine
SMILESCc1cnccc1C(N)c1ccc[nH]1
InChIInChI=1S/C11H13N3/c1-8-7-13-6-4-9(8)11(12)10-3-2-5-14-10/h2-7,11,14H,12H2,1H3
InChIKeyYGXKHBTWHQLCCH-UHFFFAOYSA-N
MW187.25 g/mol
LogP1.77
Rot. Bonds2

About (3-methyl-4-pyridinyl)-(1H-pyrrol-2-yl)methanamine

(3-methyl-4-pyridinyl)-(1H-pyrrol-2-yl)methanamine (PubChem CID 130528114) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is (3-methyl-4-pyridinyl)-(1H-pyrrol-2-yl)methanamine.

Molecular Properties

Compound Name(3-methyl-4-pyridinyl)-(1H-pyrrol-2-yl)methanamine
PubChem CID130528114
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name(3-methyl-4-pyridinyl)-(1H-pyrrol-2-yl)methanamine
SMILESCc1cnccc1C(N)c1ccc[nH]1
InChIInChI=1S/C11H13N3/c1-8-7-13-6-4-9(8)11(12)10-3-2-5-14-10/h2-7,11,14H,12H2,1H3
InChIKeyYGXKHBTWHQLCCH-UHFFFAOYSA-N
XLogP1.77
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-4-pyridinyl)-(1H-pyrrol-2-yl)methanamine?
The IUPAC name of (3-methyl-4-pyridinyl)-(1H-pyrrol-2-yl)methanamine (CID 130528114) is (3-methyl-4-pyridinyl)-(1H-pyrrol-2-yl)methanamine.
What is the SMILES notation for (3-methyl-4-pyridinyl)-(1H-pyrrol-2-yl)methanamine?
The canonical SMILES for (3-methyl-4-pyridinyl)-(1H-pyrrol-2-yl)methanamine is Cc1cnccc1C(N)c1ccc[nH]1.
What is the InChIKey of (3-methyl-4-pyridinyl)-(1H-pyrrol-2-yl)methanamine?
The InChIKey is YGXKHBTWHQLCCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c1-8-7-13-6-4-9(8)11(12)10-3-2-5-14-10/h2-7,11,14H,12H2,1H3.
What are the key properties of (3-methyl-4-pyridinyl)-(1H-pyrrol-2-yl)methanamine?
(3-methyl-4-pyridinyl)-(1H-pyrrol-2-yl)methanamine has a molecular weight of 187.25 g/mol, XLogP of 1.77, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-4-pyridinyl)-(1H-pyrrol-2-yl)methanamine is sourced from PubChem (CID 130528114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).