3-(bromomethyl)pyridin-4-amine

C6H7BrN2 — CID 18674607

IUPAC3-(bromomethyl)pyridin-4-amine
SMILESNc1ccncc1CBr
InChIInChI=1S/C6H7BrN2/c7-3-5-4-9-2-1-6(5)8/h1-2,4H,3H2,(H2,8,9)
InChIKeyAEWLMQMCLCUZRR-UHFFFAOYSA-N
MW187.04 g/mol
LogP1.56
Rot. Bonds1

About 3-(bromomethyl)pyridin-4-amine

3-(bromomethyl)pyridin-4-amine (PubChem CID 18674607) has the molecular formula C6H7BrN2 and a molecular weight of 187.04 g/mol. Its IUPAC name is 3-(bromomethyl)pyridin-4-amine.

Molecular Properties

Compound Name3-(bromomethyl)pyridin-4-amine
PubChem CID18674607
Molecular FormulaC6H7BrN2
Molecular Weight187.04 g/mol
Exact Mass185.98
IUPAC Name3-(bromomethyl)pyridin-4-amine
SMILESNc1ccncc1CBr
InChIInChI=1S/C6H7BrN2/c7-3-5-4-9-2-1-6(5)8/h1-2,4H,3H2,(H2,8,9)
InChIKeyAEWLMQMCLCUZRR-UHFFFAOYSA-N
XLogP1.56
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.04
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-(4-amino-3-pyridinyl)butan-2-one
CID 64522504
3-(2-hydrazinyl-3-methylbutyl)pyridin-4-amine
CID 105199730
3-(2-chlorobutyl)pyridin-4-amine
CID 130480258
[4-(bromomethyl)-3-pyridinyl]methanol
CID 139484815
3-(4-chloro-2-methylpentyl)pyridin-4-amine
CID 64721238
3-[(4-bromo-1-methylpyrazol-5-yl)methyl]pyridin-4-amine
CID 114663317
1-(4-amino-3-pyridinyl)-3-ethylpentane-2,3-diol
CID 103449230
3-[3-(ethylamino)-2-methylpropyl]pyridin-4-amine
CID 64663911
3-(phenylsulfanylmethyl)pyridin-4-amine
CID 105470275
1-(4-amino-3-pyridinyl)-3-methoxybutan-2-one
CID 79617121
6-(4-amino-3-pyridinyl)-2-methylhexan-3-ol
CID 64515366
ethane;molecular hydrogen;pyridine-3,4-diamine
CID 143900144

Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)pyridin-4-amine?
The IUPAC name of 3-(bromomethyl)pyridin-4-amine (CID 18674607) is 3-(bromomethyl)pyridin-4-amine.
What is the SMILES notation for 3-(bromomethyl)pyridin-4-amine?
The canonical SMILES for 3-(bromomethyl)pyridin-4-amine is Nc1ccncc1CBr.
What is the InChIKey of 3-(bromomethyl)pyridin-4-amine?
The InChIKey is AEWLMQMCLCUZRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrN2/c7-3-5-4-9-2-1-6(5)8/h1-2,4H,3H2,(H2,8,9).
What are the key properties of 3-(bromomethyl)pyridin-4-amine?
3-(bromomethyl)pyridin-4-amine has a molecular weight of 187.04 g/mol, XLogP of 1.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)pyridin-4-amine is sourced from PubChem (CID 18674607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).