6-fluoro-N-(1H-pyrrol-3-ylmethyl)pyridin-2-amine

C10H10FN3 — CID 116519992

IUPAC6-fluoro-N-(1H-pyrrol-3-ylmethyl)pyridin-2-amine
SMILESFc1cccc(NCc2cc[nH]c2)n1
InChIInChI=1S/C10H10FN3/c11-9-2-1-3-10(14-9)13-7-8-4-5-12-6-8/h1-6,12H,7H2,(H,13,14)
InChIKeyDDGOPOSZILNWMM-UHFFFAOYSA-N
MW191.21 g/mol
LogP2.16
Rot. Bonds3

About 6-fluoro-N-(1H-pyrrol-3-ylmethyl)pyridin-2-amine

6-fluoro-N-(1H-pyrrol-3-ylmethyl)pyridin-2-amine (PubChem CID 116519992) has the molecular formula C10H10FN3 and a molecular weight of 191.21 g/mol. Its IUPAC name is 6-fluoro-N-(1H-pyrrol-3-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-fluoro-N-(1H-pyrrol-3-ylmethyl)pyridin-2-amine
PubChem CID116519992
Molecular FormulaC10H10FN3
Molecular Weight191.21 g/mol
Exact Mass191.09
IUPAC Name6-fluoro-N-(1H-pyrrol-3-ylmethyl)pyridin-2-amine
SMILESFc1cccc(NCc2cc[nH]c2)n1
InChIInChI=1S/C10H10FN3/c11-9-2-1-3-10(14-9)13-7-8-4-5-12-6-8/h1-6,12H,7H2,(H,13,14)
InChIKeyDDGOPOSZILNWMM-UHFFFAOYSA-N
XLogP2.16
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.21
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(1H-pyrrol-3-ylmethyl)pyridin-2-amine?
The IUPAC name of 6-fluoro-N-(1H-pyrrol-3-ylmethyl)pyridin-2-amine (CID 116519992) is 6-fluoro-N-(1H-pyrrol-3-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 6-fluoro-N-(1H-pyrrol-3-ylmethyl)pyridin-2-amine?
The canonical SMILES for 6-fluoro-N-(1H-pyrrol-3-ylmethyl)pyridin-2-amine is Fc1cccc(NCc2cc[nH]c2)n1.
What is the InChIKey of 6-fluoro-N-(1H-pyrrol-3-ylmethyl)pyridin-2-amine?
The InChIKey is DDGOPOSZILNWMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3/c11-9-2-1-3-10(14-9)13-7-8-4-5-12-6-8/h1-6,12H,7H2,(H,13,14).
What are the key properties of 6-fluoro-N-(1H-pyrrol-3-ylmethyl)pyridin-2-amine?
6-fluoro-N-(1H-pyrrol-3-ylmethyl)pyridin-2-amine has a molecular weight of 191.21 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(1H-pyrrol-3-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 116519992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).